SCHEMBL276041

SCHEMBL276041

Oc1ccc2cnccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.56
CYP11B1 P15538 3/20 0.56
CYP11B2 P19099 3/20 0.56
MAPT P10636 3/20 0.53
HSD17B1 P14061 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP17A1 P05093 2/20 0.49
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
IMPDH2 P12268 2/20 0.45
ROCK2 O75116 1/20 0.44
MAPK10 P53779 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
SCHEMBL276615 0.91 MAPT (0.53) CYP19A1CYP11B1CYP11B2MAPTHSD17B1
SCHEMBL7284233 0.84 ESR2 (0.61) CYP19A1CYP11B1CYP11B2HSD17B1CYP1A2
SCHEMBL29041422 0.78 MAPK10 (0.57) CYP19A1CYP11B1CYP11B2MAPTCYP3A4
SCHEMBL152013 0.77 CYP19A1 (0.45) CYP19A1MAPTCYP1A2CYP3A4IMPDH2
SCHEMBL627219 0.77 CYP1A2 (0.77) HSD17B1CYP1A2CYP3A4ESR1ESR2
SCHEMBL29364786 0.77 CYP1A2 (0.77) HSD17B1CYP1A2CYP3A4ESR1ESR2
SCHEMBL69484 0.77 CYP1A2 (0.77) HSD17B1CYP1A2CYP3A4ESR1ESR2
SCHEMBL1651489 0.76 DAO (0.50) CYP19A1CYP3A4PDGFRBPDGFRA
SCHEMBL11545398 0.75 DAO (0.50) CYP19A1CYP3A4IMPDH2ROCK2
SCHEMBL28191731 0.75 PRKCZ (0.68) CYP19A1CYP11B1CYP11B2HSD17B1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386511-B2 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-03-20 EP claimed
CN-110437062-B Synthetic method of neratide intermediate 成都美域高制药有限公司 2022-07-05 CN claimed
CN-110437062-A It is a kind of how the synthetic method of his your intermediate of ground CHENGDU MIRACLE PHARMACEUTICAL CO LTD 2019-11-12 CN claimed
CN-108697709-A Methods for treating huntington's disease PTC医疗公司 2018-10-23 CN claimed
CN-107428729-A COMPOUNDS FOR THE TREATMENT OF CANCER 豪夫迈·罗氏有限公司 2017-12-01 CN claimed
CN-104562037-B Siliceous macromolecular corrosion inhibitor composition and preparation method thereof 中国石油化工股份有限公司 2017-05-17 CN claimed
WO-2016154694-A1 N-ACYLHYDRAZONE COMPOUNDS INHIBITING HISTONE DESACETYLASE ENZYMES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHOD FOR PRODUCING SAME UNIVERSIDADE FEDERAL DO RIO DE JANEIRO-UFRJ (BR) 2016-10-06 WO claimed
CN-104562037-A Siliceous macromolecular corrosion inhibitor composition and preparation method thereof CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
EP-0182210-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 EP claimed
JP-7304744-A None JP disclosed
JP-8059658-A None JP disclosed
EP-3233077-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2026-05-06 EP disclosed
US-12612382-B2 Process for preparing 6-substituted-1-(2H)-isoquinolinones and intermediate compound VALO HEALTH INC. (US) 2026-04-28 US disclosed
US-20260102395-A1 INHIBITING HISTONE DEACETYLASE 6 EIKONIZO THERAPEUTICS, INC. (US) 2026-04-16 US disclosed
EP-0266949-A1 Tetrahydroisoquinolin-2-yl derivatives of carboxylic acids as thromboxane A2 antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-05-11 EP disclosed
WO-1988003137-A1 TETRAHYDROISOQUINOLIN-2-YL DERIVATIVES OF CARBOXYLIC ACIDS AS THROMBOXANE A2 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-05-05 WO disclosed
US-4742053-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed
EP-0182210-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 EP disclosed
EP-0130069-A2 Hexahydropyrrolo (2,1-a) isoquinoline derivatives McNeilab, Inc. (US) 1985-01-02 EP 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 (2 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-20260102395-A1 INHIBITING HISTONE DEACETYLASE 6 HDAC6, HDAC1, HDAC8 CYP19A1 4433/4885CYP11B1 2529/4885CYP11B2 3057/4885
US-12612382-B2 Process for preparing 6-substituted-1-(2H)-isoquinolinones and intermediate compound ROCK1, RHOA, ABL1 CYP19A1 2300/4885CYP11B1 96/4885CYP11B2 142/4885

“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.