SCHEMBL835282

SCHEMBL835282

C#Cc1ncccc1C(=O)O.c1cc2cc-2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
AGER Q15109 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NAPRT Q6XQN6 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACMSD Q8TDX5 1/20 0.41
MCL1 Q07820 1/20 0.40
ALOX12 P18054 1/20 0.40
DHODH Q02127 5/20 0.40
KMO O15229 3/20 0.40
RORB Q92753 1/20 0.39

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
Benzene SCHEMBL7527131 0.90 KDM4E (0.57) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL8182627 0.90 KDM4E (0.57) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL1477295 0.86 RORB (0.38) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL1479640 0.86 PARP1 (0.47) KDM4EALDH1A1MAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1476864 0.85 PARP1 (0.46) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1477041 0.82 TDP1 (0.45) KDM4ETDP1ALDH1A1MAPTALOX15
Hydrochloric Acid SCHEMBL1476697 0.81 MEN1 (0.41) SMN1; SMN2RORB
Hydrochloric Acid SCHEMBL1477231 0.81 TDP1 (0.44) KDM4ETDP1ALDH1A1MAPTALOX15
SCHEMBL1477619 0.80 PARP1 (0.37) KDM4EALDH1A1CYP3A4MAPTNPSR1
SCHEMBL834846 0.79 TSHR (0.46) KDM4EALDH1A1MAPTALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1729771-B1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-14 EP claimed
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
EP-2099757-B1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN INC (US) 2014-06-25 EP disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
WO-2005094822-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-13 WO disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20040220171-A1 1-Aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS INC 2004-11-04 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
EP-1278732-A1 1-AROYL-PIPERIDINYL BENZAMIDINES Aventis Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
US-20020045613-A1 1-aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-04-18 US disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 WO disclosed
WO-2001081310-A1 1-AROYL-PIPERIDINYL BENZAMIDINES AVENTIS PHARMACEUTICALS INC. (US) 2001-11-01 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 (6 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-20040220171-A1 1-Aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 KDM4E 2191/4885TDP1 1520/4885ALDH1A1 567/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDM4E 891/4885TDP1 1903/4885ALDH1A1 2605/4885
US-20020045613-A1 1-aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 KDM4E 2191/4885TDP1 1520/4885ALDH1A1 567/4885
US-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 KDM4E 3000/4885TDP1 2563/4885ALDH1A1 729/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 KDM4E 3000/4885TDP1 2563/4885ALDH1A1 729/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KDM4E 3510/4885TDP1 595/4885ALDH1A1 1717/4885

“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.