SCHEMBL10247597

SCHEMBL10247597

Cc1ccc(C(=O)Cn2ccnc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.72
ALPG P10696 2/20 0.64
ALPI P09923 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
PLAA Q9Y263 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CYP51A1 Q16850 1/20 0.62
CYP11B1 P15538 4/20 0.58
CYP11B2 P19099 4/20 0.58
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA14 Q9ULX7 1/20 0.53

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
Hydrochloric Acid SCHEMBL412588 0.98 CYP19A1 (0.70) CYP19A1ALPGALPITDP1PLAA
Bromide SCHEMBL10529203 0.98 CYP19A1 (0.70) CYP19A1ALPGALPITDP1PLAA
SCHEMBL27559825 0.88 CYP19A1 (0.79) CYP19A1ALPGALPITDP1PLAA
SCHEMBL10974263 0.86 ALPG (0.63) CYP19A1ALPGALPITDP1PLAA
SCHEMBL13979176 0.85 CYP19A1 (0.74) CYP19A1ALPGALPITDP1PLAA
Hydrochloric Acid SCHEMBL10973022 0.84 ALPG (0.64) CYP19A1ALPGALPITDP1PLAA
SCHEMBL11257445 0.84 TBXAS1 (0.58) CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL9850663 0.84 CYP19A1 (0.68) CYP19A1ALPGALPITDP1PLAA
SCHEMBL7241260 0.84 CYP19A1 (0.72) CYP19A1ALPGALPITDP1PLAA
SCHEMBL10247467 0.84 CYP19A1 (0.72) CYP19A1ALPGALPITDP1PLAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109320458-B Diaryl imidazole-containing compound, preparation method and medical application thereof 中国药科大学 2022-05-31 CN disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 WO disclosed
US-4831154-A 5-alkyl(or alkenyl)-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines PENNWALT CORPORATION (US) 1989-05-16 US disclosed
US-4769468-A 5-(acyloxyalkyl)-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines PENWALT CORPORATION (US) 1988-09-06 US disclosed
US-4767868-A 3-Phenyl-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-[(phenylamino)methyl]isoxazolidines PENNWALT CORPORATION (US) 1988-08-30 US disclosed
US-4767867-A 5-(alkoxyalkyl)-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines PENNWALT CORPORATION (US) 1988-08-30 US disclosed
EP-0257391-A2 5-Substituted-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines FISONS CORPORATION (US) 1988-03-02 EP disclosed
US-4723021-A Substituted 5-(phenoxyalkyl)-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines PENNWALT CORPORATION (US) 1988-02-02 US disclosed
US-4351948-A Imidazole hydrazone derivatives G.D. SEARLE & CO. (US) 1982-09-28 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 (4 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 CYP19A1 884/4885ALPG 715/4885ALPI 1647/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 CYP19A1 641/4885ALPG 397/4885ALPI 2096/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 CYP19A1 641/4885ALPG 397/4885ALPI 2096/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 CYP19A1 614/4885ALPG 405/4885ALPI 2179/4885

“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.