SCHEMBL3110474

SCHEMBL3110474

CC(CN)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.56
CYP3A4 P08684 4/20 0.55
TSHR P16473 4/20 0.55
ALDH1A1 P00352 3/20 0.55
ALOX15 P16050 3/20 0.55
HSD17B10 Q99714 3/20 0.55
ALOX12 P18054 2/20 0.55
HIF1A Q16665 2/20 0.55
MAPK1 P28482 1/20 0.55
THRB P10828 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
RECQL P46063 1/20 0.48
ATM Q13315 1/20 0.48
TP53 P04637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CASP1 P29466 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 6/20 0.46
GAA P10253 1/20 0.42

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
SCHEMBL132688 0.83 TDP1 (0.52) TDP1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL24067992 0.80 ALDH1A1 (0.46) TDP1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL94935 0.79 ALDH1A1 (0.77) TDP1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL13776661 0.79 ALDH1A1 (0.77) TDP1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL27960166 0.79 TDP1 (0.58) TDP1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL8744834 0.79 TDP1 (0.58) TDP1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL172358 0.79 ALDH1A1 (0.77) TDP1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL23569545 0.78 ALDH1A1 (0.61) TDP1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL10889115 0.78 ALDH1A1 (0.50) TDP1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL10589375 0.77 TDP1 (0.56) TDP1CYP3A4TSHRALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507164-B Gemini surfactant, preparation method, composition and application thereof 中国石油天然气股份有限公司 2023-10-24 CN claimed
JP-8253456-A None JP disclosed
EP-4326813-A1 POLYISOBUTENE DERIVATIVES AS AN ADDITIVE IN RUBBERS BASF SE (DE) 2024-02-28 EP disclosed
US-11866547-B2 Method for producing functionalized polyesters HENKEL AG & CO. KGAA (DE) 2024-01-09 US disclosed
US-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-03-30 US disclosed
EP-3428216-B1 METHOD FOR PRODUCING FUNCTIONALIZED POLYESTERS HENKEL AG & CO KGAA (DE) 2022-11-02 EP disclosed
WO-2022223345-A1 POLYISOBUTENE DERIVATIVES AS AN ADDITIVE IN RUBBERS BASF SE (DE) 2022-10-27 WO disclosed
CN-114980976-A Covalent RAS inhibitors and uses thereof 锐新医药公司 2022-08-30 CN disclosed
WO-2021108683-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2021-06-03 WO disclosed
US-20200140609-A1 Method for Producing Functionalized Polyesters HENKEL IBERICA S.A. (ES) 2020-05-07 US disclosed
US-20100179282-A1 POLYESTERS CONTAINING AMINO GROUPS EVONIK DEGUSSA GMBH (DE) 2010-07-15 US disclosed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
JP-H08253456-A 2-PERHYDROPYRIMIDINONE DERIVATIVE, HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT AND INTERMEDIATE FOR PRODUCING THE SAME MITSUBISHI CHEM CORP 1996-10-01 JP disclosed
US-5059391-A USE OF POLYARALKYLAMINES AS CORROSION INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed
US-4922021-A ANTIARRHYTHMIA AGENTS BASF AKTIENSELLSCHAFT (DE) 1990-05-01 US disclosed
EP-0306831-A1 Use of polyaralkyl amines as corrosion inhibitors BAYER AG (DE) 1989-03-15 EP disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 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 (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-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS TDP1 2909/4885CYP3A4 3657/4885TSHR 3138/4885

“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.