SCHEMBL148270

SCHEMBL148270

COc1cc[c]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
EP300 Q09472 2/20 0.42
KAT8 Q9H7Z6 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NQO1 P15559 1/20 0.42
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLK1 P53350 1/20 0.36
TP53 P04637 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
SCHEMBL7753169 1.00 IDO1 (0.44) IDO1EP300KAT8CA1CA2
SCHEMBL383902 0.86 CA1 (0.41) IDO1EP300KAT8CA1CA2
SCHEMBL27543624 0.80 CLCN2 (0.32)
SCHEMBL7196063 0.79
SCHEMBL5934178 0.79 MAPT (0.39) MAPTALDH1A1SMN1; SMN2ADRA2BCYP1A2
SCHEMBL40509 0.79 ALDH1A1 (0.41) MAPTALDH1A1MAPK1KDM4ESMN1; SMN2
SCHEMBL7834557 0.79 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL15206293 0.78 KDM1A (0.36) IDO1TSHR
SCHEMBL2252041 0.77 NQO1 (0.60) IDO1CA1CA2CA7CA9
SCHEMBL20591914 0.77 HSD17B10 (0.46) IDO1MAPTALDH1A1MAPK1KDM4E

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 1328 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290239-A Nickel-catalyzed method for 1, 3-conjugated diene number 3 selective Heck reaction 中国科学院大连化学物理研究所 2024-07-05 CN claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
US-20230115208-A1 RING-FUSED THIAZOLINO 2-PYRIDONES, METHODS FOR PREPARATION THEREOF AND THEIR USE IN THE TREATMENT AND/OR PREVENTION OF TUBERCULOSIS QURETECH BIO AB (SE) 2023-04-13 US claimed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US claimed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
CN-111808045-B Method for synthesizing chiral seven-element cyclic sulfonamide through organic catalysis 中国科学院大连化学物理研究所 2022-07-08 CN claimed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 WO claimed
EP-3898588-A1 DISUBSTITUTED ALKYNE DERIVATIVES Merck Patent GmbH (DE) 2021-10-27 EP claimed
US-4988730-A Treatment of angina or arrhythmia CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYAR RT (HU) 1991-01-29 US claimed
CN-87104753-A Prepare the new diphenyl Tri N-Propyl Amine derivative and the method for salt thereof 1988-06-15 CN claimed
EP-0253327-A2 Diphenylpropylamine derivatives, their preparation and their pharmaceutical use CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-01-20 EP claimed
US-4435329-A ANTIHYPERTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-06 US claimed
EP-0010347-B1 NOVEL SUBSTITUTED OMEGA-AROYL(PROPIONYL OR BUTYRYL)-L-PROLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1983-11-09 EP claimed
US-4374249-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-02-15 US claimed
US-4350753-A Positive acting composition yielding pre-development high visibility image after radiation exposure comprising radiation sensitive diazo oxide and haloalkyl-s-triazine with novolak and dyestuff POLYCHROME CORPORATION (US) 1982-09-21 US claimed
US-4226775-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1980-10-07 US claimed
EP-0010347-A1 Novel substituted omega-aroyl(propionyl or butyryl)-L-prolines, pharmaceutical compositions containing them and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-04-30 EP claimed
US-4066758-A ANTITHROMBOTIC MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-01-03 US claimed

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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 IDO1 1069/4885EP300 3900/4885KAT8 4713/4885
US-20230115208-A1 RING-FUSED THIAZOLINO 2-PYRIDONES, METHODS FOR PREPARATION THEREOF AND THEIR USE IN THE TREATMENT AND/OR PREVENTION OF TUBERCULOSIS IL17A, TBCB, TBC1D15 IDO1 964/4885EP300 273/4885KAT8 1064/4885
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA IDO1 2572/4885EP300 153/4885KAT8 2742/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 IDO1 1195/4885EP300 3770/4885KAT8 4721/4885

“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.