SCHEMBL397466

SCHEMBL397466

Nc1ccccc1-c1cccc(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TSHR P16473 1/20 0.54
CYP2D6 P10635 1/20 0.50
MAOA P21397 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
SCN4A P35499 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
PDE3A Q14432 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN9A Q15858 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.50
NUDT1 P36639 6/20 0.47
NR4A2 P43354 1/20 0.46
HSD17B10 Q99714 2/20 0.44
NOTUM Q6P988 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL3819672 0.87 ALDH1A1 (0.45) ALDH1A1L3MBTL1TSHRCYP2D6MAOA
SCHEMBL17785867 0.83 ALDH1A1 (0.68) ALDH1A1L3MBTL1TSHRNR4A2HSD17B10
SCHEMBL3279467 0.83 ALDH1A1 (0.68) ALDH1A1L3MBTL1TSHRNR4A2HSD17B10
SCHEMBL440943 0.83 TSHR (0.52) TSHRCYP2D6MAOAMAPK1ADRA1A
SCHEMBL20345882 0.82 ALDH1A1 (0.59) ALDH1A1L3MBTL1TSHRCYP2D6MAOA
Hydrochloric Acid SCHEMBL28868989 0.81 ALDH1A1 (0.65) ALDH1A1L3MBTL1TSHRNR4A2HSD17B10
SCHEMBL29385608 0.80 CYP2A6 (0.52) ALDH1A1TSHRCYP2D6MAOAMAPK1
SCHEMBL381601 0.80 CYP2A6 (0.52) ALDH1A1TSHRCYP2D6MAOAMAPK1
SCHEMBL2501381 0.80 KDM4E (0.47) ALDH1A1L3MBTL1TSHRCYP2D6MAOA
SCHEMBL2500855 0.79 TSHR (0.48) ALDH1A1TSHRCYP2D6MAOAMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226084-A9 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS TECHFIELDS PHARMA CO., LTD. (CN) 2024-07-11 US disclosed
US-20240131017-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS TECHFIELDS PHARMA CO., LTD. (CN) 2024-04-25 US disclosed
US-20240115562-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS TECHFIELDS PHARMA CO., LTD. (CN) 2024-04-11 US disclosed
US-11857545-B2 High penetration prodrug compositions and pharmaceutical composition thereof for treatment of pulmonary conditions TECHFIELDS PHARMA CO., LTD. (CN) 2024-01-02 US disclosed
US-11813256-B2 High penetration prodrug compositions and pharmaceutical compositon thereof for treatment of pulmonary conditions PREMIER RESEARCH INTERNATIONAL, LLC 2023-11-14 US disclosed
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 US disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-2489659-A1 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-08-22 EP disclosed
US-8101767-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885TSHR 2753/4885
US-20240226084-A9 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS HRH4, HCAR2, PAH ALDH1A1 1724/4885L3MBTL1 4827/4885TSHR 4782/4885
US-11813256-B2 High penetration prodrug compositions and pharmaceutical compositon thereof for treatment of pulmonary conditions CPA3, PAH, HCAR2 ALDH1A1 2282/4885L3MBTL1 4421/4885TSHR 4674/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885TSHR 2753/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885TSHR 2753/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 ALDH1A1 2535/4885L3MBTL1 4609/4885TSHR 3893/4885
US-20240115562-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS HRH4, HCAR2, PAH ALDH1A1 1724/4885L3MBTL1 4827/4885TSHR 4782/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885TSHR 2753/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885TSHR 2753/4885
US-20240131017-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS HRH4, HCAR2, PAH ALDH1A1 1724/4885L3MBTL1 4827/4885TSHR 4782/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 ALDH1A1 2651/4885L3MBTL1 3929/4885TSHR 2802/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885L3MBTL1 3693/4885TSHR 2315/4885
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES ALDH1A1 1790/4885L3MBTL1 4866/4885TSHR 4680/4885
US-11857545-B2 High penetration prodrug compositions and pharmaceutical composition thereof for treatment of pulmonary conditions HRH4, HCAR2, PAH ALDH1A1 1724/4885L3MBTL1 4827/4885TSHR 4782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.