SCHEMBL115601

SCHEMBL115601

Cc1cccc2ncsc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
PARP1 P09874 3/20 0.35
ELANE P08246 2/20 0.35
CHRM1 P11229 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
NQO2 P16083 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL30081471 1.00 ALDH1A1 (0.45) ALDH1A1HSD17B10PARP1ELANECHRM1
SCHEMBL115602 0.78 ALDH1A1 (0.45) ALDH1A1HSD17B10OPRM1OPRL1
SCHEMBL30559713 0.75 ALDH1A1 (0.42) ALDH1A1HSD17B10OPRM1OPRL1
SCHEMBL10900782 0.74 ALDH1A1 (0.42) ALDH1A1HSD17B10PARP1LMNAMAPT
SCHEMBL6972765 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10PARP1CHRM1OPRM1
SCHEMBL659126 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10OPRM1OPRL1
SCHEMBL288616 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10OPRM1OPRL1
SCHEMBL5562354 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10OPRM1OPRL1
SCHEMBL928489 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10PARP1CHRM1CYP1A2
SCHEMBL2093035 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10CHRM1CYP1A2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP claimed
CN-101421257-A Agents that disrupt cellular replication and their use in inhibiting pathological conditions EUROPEAN MOLECULAR BIOLOGY LAB EMBL (DE) 2009-04-29 CN claimed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO claimed
US-20250171438-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2025-05-29 US disclosed
CN-119798326-A Benzothiazole phosphorus compound and synthetic method and application thereof 江西师范大学 2025-04-11 CN disclosed
WO-2024130342-A1 TRANSIENT RECEPTOR POTENTIAL VANILLOID 6 INHIBITORS UNIQUEST PTY LIMITED (AU) 2024-06-27 WO disclosed
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 EP disclosed
WO-2023225252-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-11-23 WO disclosed
US-11787762-B2 Tetralin and tetrahydroquinoline compounds as inhibitors of HIF-2alpha ARCUS BIOSCIENCES, INC. (US) 2023-10-17 US disclosed
EP-3183250-B1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL CLAP CO LTD (KR) 2023-10-04 EP disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP disclosed
EP-0088595-B1 CYANINE DYES FOR SENSITIZING SILVER HALIDE EMULSIONS TO INFRARED RADIATION AND PHOTOGRAPHIC ELEMENTS INCLUDING THEM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-09-24 EP disclosed
US-4515888-A BASED ON 5-METHYL-6-METHOXYBENZOTHIAZOLE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-05-07 US disclosed
EP-0088595-A2 Cyanine dyes for sensitizing silver halide emulsions to infrared radiation and photographic elements including them MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-09-14 EP disclosed
US-4094683-A HETEROCYCLIC QUATERNARY AMMONIUM COMPOUND AS FOGGING AGENT FUJI PHOTO FILM CO., LTD. (JA) 1978-06-13 US disclosed
US-4053318-A SENSITIZING MEROCYANINE DYE FUJI PHOTO FILM CO., LTD. (JA) 1977-10-11 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 (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-11787762-B2 Tetralin and tetrahydroquinoline compounds as inhibitors of HIF-2alpha HIF1AN, HIF1A, EGLN2 ALDH1A1 2241/4885HSD17B10 1411/4885PARP1 2062/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR ALDH1A1 4757/4885HSD17B10 4363/4885PARP1 4793/4885
US-20250171438-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 ALDH1A1 865/4885HSD17B10 1477/4885PARP1 2718/4885

“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.