SCHEMBL672098

SCHEMBL672098

O=C=Nc1ccc2c(c1)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 3/20 0.44
TRPA1 O75762 1/20 0.44
ALDH1A1 P00352 3/20 0.41
PNMT P11086 1/20 0.41
TSHR P16473 4/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HPGD P15428 3/20 0.38
RAB9A P51151 3/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL30632049 1.00 ADRA2A (0.47) ADRA2AADRA2BADRA2CMAPK1TDP1
SCHEMBL7391311 0.80 MAOA (0.53) MAPK1TDP1HSD17B10MEN1KMT2A
SCHEMBL2265788 0.80 PNMT (0.62) ADRA2AADRA2BADRA2CTDP1CYP3A4
SCHEMBL543138 0.78 MAPK1 (0.48) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL13063374 0.77 ADRA2A (0.52) ADRA2AADRA2BADRA2CALDH1A1TSHR
SCHEMBL7989668 0.75 NOS3 (0.47) MAPK1TDP1CYP3A4TRPA1CYP2D6
SCHEMBL26323681 0.75 DYRK1A (0.43) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL11231604 0.73 MAPK1 (0.48) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL9232010 0.73 MAPK1 (0.44) ADRA2AMAPK1TDP1CYP3A4TRPA1
Cyclohexane SCHEMBL1006843 0.73 CYP3A4 (0.61) MAPK1TDP1CYP3A4TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079899-A Application of pharmaceutical composition in preparation of medicines for preventing or treating diseases related to Sirttail 7 protein 2026-05-26 CN disclosed
EP-3261631-B1 INHIBITION OF OLIG2 ACTIVITY CURTANA PHARMACEUTICALS INC (US) 2025-09-10 EP disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
US-20240116897-A1 BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-04-11 US disclosed
WO-2024038282-A1 2-AZA- AND 2-OXABICYCLO[2.1.1]HEXANE DERIVATIVES AS FACTOR XIIA ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2024-02-22 WO disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 EP disclosed
CN-116917364-A Low viscosity catalyst composition for producing isocyanurate polymers 科思创德国股份有限公司 2023-10-20 CN disclosed
CN-116829542-A Benzothiazole and benzimidazole derivatives, pharmaceutically acceptable salts, preparation method thereof and pharmaceutical composition containing same as active ingredient 韩国化学研究院 2023-09-29 CN disclosed
WO-2003027093-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 WO disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 WO disclosed
EP-0652871-B1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME (GB) 2001-10-17 EP disclosed
US-5618812-A GASTRIN ANTAGONISTS; GASTROINTESTINAL DISORDERS MERCK SHARP & DOHME, LTD. (GB) 1997-04-08 US disclosed
US-5521175-A CHOLECYSTOKININS AND GASTRIN ANTAGONIST FOR PHYSIOLOGICAL DISORDERS MERCK SHARP & DOHME LTD. (GB) 1996-05-28 US disclosed
EP-0652873-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-05-17 EP disclosed
EP-0652871-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-05-17 EP disclosed
WO-1994003437-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-02-17 WO disclosed
WO-1994003447-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-02-17 WO disclosed
US-4393002-A FOR POWDER COATINGS CIBA-GEIGY CORPORATION (US) 1983-07-12 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 (1 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-20240116897-A1 BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT SIRT7, SIRT1, BRD7 ADRA2A 4526/4885ADRA2B 4228/4885ADRA2C 4139/4885

“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.