SCHEMBL97591

SCHEMBL97591

O=[C]c1cccc2cc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.50
▸ KEAP1 Q14145 1/20 0.48
▸ PDPK1 O15530 1/20 0.47
▸ BRD4 O60885 1/20 0.44
▸ TAF1 P21675 1/20 0.44
▸ BRPF1 P55201 1/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ CECR2 Q9BXF3 1/20 0.44
▸ BRD9 Q9H8M2 1/20 0.44
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ NR3C2 P08235 1/20 0.43
▸ AR P10275 1/20 0.43
▸ TRPA1 O75762 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ITGB2 P05107 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ ITGAL P20701 1/20 0.41
▸ CA4 P22748 1/20 0.41

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
SCHEMBL1420318 0.79 AHR (0.50) AHRKEAP1PDPK1BRD4TAF1
SCHEMBL18000241 0.79 AHR (0.55) AHRKEAP1PDPK1BRD4TAF1
SCHEMBL29361477 0.79 AHR (0.50) AHRKEAP1PDPK1BRD4TAF1
Hydrochloric Acid SCHEMBL27757229 0.78 AHR (0.48) AHRKEAP1PDPK1BRD4TAF1
Hydrochloric Acid SCHEMBL29363603 0.78 AHR (0.48) AHRKEAP1PDPK1BRD4TAF1
Hydrochloric Acid SCHEMBL3826755 0.78 AHR (0.48) AHRKEAP1PDPK1BRD4TAF1
SCHEMBL25405674 0.75 CYP3A4 (0.47) AHRKEAP1PDPK1BRD4TAF1
Formic Acid SCHEMBL30673625 0.74 KEAP1 (0.45) AHRKEAP1PDPK1BRD4TAF1
SCHEMBL28016816 0.72 AHR (0.43) AHRKEAP1PDPK1BRD4TAF1
SCHEMBL276716 0.71 AHR (0.56) AHRKEAP1PDPK1BRD4TAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109923107-A The method for being used to prepare indole carboxamides compound 百时美施贵宝公司 2019-06-21 — — CN disclosed
CN-107428733-A CD38 inhibitor and treatment method 葛兰素史克知识产权第二有限公司 2017-12-01 — — CN disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 — — US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 — — US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 — — EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 — — EP disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 — — US disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 — — US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 — — US disclosed
US-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 — — US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 — — EP disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 — — EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 — — WO disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 — — US disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 — — WO disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 — — EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 — — WO disclosed
US-6395739-B1 CARDIOVASCUALR DISORDERS; HYPOTENSIVE AGENTS ZERIA PHARMACEUTICAL CO., LTD. (JP) 2002-05-28 — — US disclosed
EP-1090913-A1 N-PHENYL-N'-PHENYLPROPYLPIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Zeria Pharmaceutical Co., Ltd. (JP) 2001-04-11 — — 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 (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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 AHR 1206/4885KEAP1 1156/4885PDPK1 2816/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 AHR 1206/4885KEAP1 1156/4885PDPK1 2816/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 AHR 230/4885KEAP1 182/4885PDPK1 1897/4885

“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.

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