SCHEMBL2264443

SCHEMBL2264443

Cc1ccc(Sc2ccc(C=O)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
CYP2A6 P11509 1/20 0.48
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HAO1 Q9UJM8 1/20 0.44
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ICAM1 P05362 2/20 0.39
SELE P16581 2/20 0.39
CHEK2 O96017 1/20 0.39
NOTUM Q6P988 1/20 0.38
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5572729 0.85 ALDH1A1 (0.37) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3926634 0.85 HSD17B10 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2HAO1
SCHEMBL510242 0.83 CYP11B1 (0.44) KDM4ECYP2A6ALDH1A1HPGDSMN1; SMN2
SCHEMBL4616678 0.81 DDAH1 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL4597308 0.80 ALDH1A1 (0.53) KDM4EALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL3805417 0.78 MAPT (0.53) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4598186 0.78 ALDH1A1 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL6735568 0.78 CYP2A6 (0.73) KDM4ECYP2A6ALDH1A1HPGDSMN1; SMN2
SCHEMBL5573750 0.75 ALDH1A1 (0.41) ALDH1A1HPGDCHEK2
SCHEMBL5576695 0.75 ALOX15 (0.42) ALDH1A1HPGDSMN1; SMN2MAPTNPSR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
US-7504414-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-03-17 US disclosed
US-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines ARIENTI KRISTEN L 2008-01-10 US disclosed
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 US disclosed
EP-1435947-B1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-¬4,5|-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO MCNEIL PHARM INC (US) 2007-08-15 EP disclosed
EP-1435947-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER Ortho-McNeil Pharmaceutical, Inc. (US) 2004-07-14 EP disclosed
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHOMCNEIL PHARMACEUTICAL, INC. 2003-09-18 US disclosed
WO-2003032984-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDSI/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO-MCNEIL PHARMACEUTICAL,INC. (US) 2003-04-24 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 (3 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-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines CDKN1A, DDB1, TMBIM6 KDM4E 3815/4885CYP2A6 2858/4885ALDH1A1 1427/4885
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, TMBIM6, CDS2 KDM4E 2840/4885CYP2A6 2871/4885ALDH1A1 1805/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 KDM4E 3067/4885CYP2A6 156/4885ALDH1A1 806/4885

“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.