SCHEMBL399109

SCHEMBL399109

Nc1ccccc1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
PTPRC P08575 2/20 0.43
TSHR P16473 1/20 0.42
ADORA2A P29274 4/20 0.41
ADORA1 P30542 2/20 0.41
FADS1 O60427 1/20 0.41
ADORA2B P29275 1/20 0.41
RORB Q92753 1/20 0.41
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.40
DHFR P00374 1/20 0.40
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL29520503 0.83 ALDH1A1 (0.70) ALDH1A1HSD17B10L3MBTL1PTPRCTSHR
SCHEMBL5671941 0.83 ALDH1A1 (0.70) ALDH1A1HSD17B10L3MBTL1PTPRCTSHR
SCHEMBL398850 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10L3MBTL1TSHRADORA2A
SCHEMBL29575632 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10L3MBTL1TSHRADORA2A
SCHEMBL29440755 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1PTPRCTSHR
SCHEMBL22118280 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1PTPRCTSHR
SCHEMBL1558220 0.80 ALDH1A1 (0.54) ALDH1A1HSD17B10L3MBTL1TSHRADORA2A
SCHEMBL395875 0.79 ALDH1A1 (0.65) ALDH1A1HSD17B10L3MBTL1TSHRADORA2A
Hydrochloric Acid SCHEMBL28121282 0.77 ALDH1A1 (0.62) ALDH1A1HSD17B10L3MBTL1TSHRADORA2A
SCHEMBL1558917 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1TSHRADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BASF SE (DE) 2009-01-08 US claimed
EP-1996018-A2 METHOD OF INDUCING TOLERANCE OF PLANTS AGAINST BACTERIOSES BASF SE (DE) 2008-12-03 EP claimed
WO-2007104658-A2 METHOD OF INDUCING TOLERANCE OF PLANTS AGAINST BACTERIOSES BASF SE (DE) 2007-09-20 WO claimed
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-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
WO-2007104658-A2 METHOD OF INDUCING TOLERANCE OF PLANTS AGAINST BACTERIOSES BASF SE (DE) 2007-09-20 WO disclosed
WO-2007003564-A1 FUNGICIDE MIXTURES BASED ON 3,5-DISUBSTITUTED PYRAZOL-CARBOXYLIC ACID BIPHENYLAMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-11 WO 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
US-6887889-B2 Aryl and biaryl piperdines with MCH modulatory activity PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2005-05-03 US disclosed
EP-1377293-A1 ARYL AND BIARYL PIPERIDINES USED AS MCH ANTAGONISTS PHARMACOPEIA, INC. (US) 2004-01-07 EP disclosed
US-20030013720-A1 Aryl and biaryl piperidines with MCH modulatory activity PHARMACOPEIA, INC. 2003-01-16 US disclosed
WO-2002083134-A1 ARYL AND BIARYL PIPERIDINES USED AS MCH ANTAGONISTS PHARMACOPEIA, INC. (US) 2002-10-24 WO disclosed
US-4670566-A ANTIIFLAMMATORY AGENTS, ANTICOAGULANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-06-02 US disclosed
US-4440785-A Methods of using 2-aminobiphenylacetic acids, esters, and metal salts thereof to treat inflammation A. H. ROBINS COMPANY, INC. (US) 1984-04-03 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 (7 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 2165/4885HSD17B10 1468/4885L3MBTL1 3552/4885
US-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BROX, CAT, SLC11A2 ALDH1A1 2207/4885HSD17B10 2379/4885L3MBTL1 417/4885
US-20030013720-A1 Aryl and biaryl piperidines with MCH modulatory activity MCHR1, MCHR2, MC5R ALDH1A1 1096/4885HSD17B10 2923/4885L3MBTL1 2474/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885L3MBTL1 3552/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885L3MBTL1 3552/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885L3MBTL1 3552/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885HSD17B10 1602/4885L3MBTL1 3693/4885

“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.