SCHEMBL397076

SCHEMBL397076

Nc1ccccc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 5/20 0.52
CYP3A4 P08684 2/20 0.52
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DPP4 P27487 1/20 0.45
AHR P35869 1/20 0.45
HSD11B1 P28845 3/20 0.45
RECQL P46063 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
SCHEMBL11214035 0.85 TSHR (0.58) ALDH1A1TSHRCYP3A4RAB9AKDM4E
SCHEMBL398356 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRCYP3A4KDM4E
SCHEMBL29416163 0.82 AHR (0.52) ALDH1A1TSHRCYP3A4RAB9AKDM4E
SCHEMBL2934558 0.82 AHR (0.52) ALDH1A1TSHRCYP3A4RAB9AKDM4E
SCHEMBL23502859 0.82 ALDH1A1 (0.52) ALDH1A1L3MBTL1TSHRCYP3A4RAB9A
SCHEMBL3767151 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRCYP3A4TP53
SCHEMBL17785867 0.80 ALDH1A1 (0.68) ALDH1A1L3MBTL1TSHRCYP3A4RAB9A
SCHEMBL3279467 0.80 ALDH1A1 (0.68) ALDH1A1L3MBTL1TSHRCYP3A4RAB9A
SCHEMBL464507 0.79 AHR (0.64) ALDH1A1TSHRCYP3A4RAB9AKDM4E
SCHEMBL29624840 0.79 AHR (0.64) ALDH1A1TSHRCYP3A4RAB9AKDM4E

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 73 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-2007000462-A1 FUNGICIDE MIXTURES BASED ON 2,4-DISUBSTITUTED PYRAZOLE CARBOXYLIC ACID BIPHENYLAMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-04 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-20040121998-A1 CRF antagonistic quino- and quinazolines NEUROCRINE BIOSCIENCES, INC. 2004-06-24 US disclosed
EP-0977737-B1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP disclosed
US-6610678-B2 Corticotropin-releasing factor antagonists; treating endocrine, psychiatric or neurologic disorders HUANG CHARLES (US) 2003-08-26 US disclosed
US-20030119818-A1 CRF antagonistic quino-and quinazolines HUANG CHARLES (US) 2003-06-26 US disclosed
US-6482836-B1 CRF antagonistic quino- and quinazolines JANSSEN PHARMACEUTICA N.V. (BE) 2002-11-19 US disclosed
EP-0977737-A1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2000-02-09 EP disclosed
WO-1998047874-A1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 1998-10-29 WO 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 (8 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-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BROX, CAT, SLC11A2 ALDH1A1 2207/4885L3MBTL1 417/4885TSHR 3387/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885TSHR 2753/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885TSHR 2753/4885
US-20030119818-A1 CRF antagonistic quino-and quinazolines CRHR1, HTR6, CRH ALDH1A1 1476/4885L3MBTL1 4225/4885TSHR 428/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885TSHR 2753/4885
US-20040121998-A1 CRF antagonistic quino- and quinazolines CRHR1, HTR6, CRH ALDH1A1 1476/4885L3MBTL1 4225/4885TSHR 428/4885
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

“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.