SCHEMBL5029109

SCHEMBL5029109

COc1ccc(C)cc1C#N

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 1/20 0.63
USP2 O75604 1/20 0.63
AR P10275 13/20 0.59
ACHE P22303 1/20 0.56
IMPDH2 P12268 2/20 0.53
IMPDH1 P20839 1/20 0.53
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.46

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
SCHEMBL2614475 0.88 AR (0.69) ALDH1A1KDM4EUSP2ARACHE
Thianthrene SCHEMBL30427863 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2ARACHE
SCHEMBL1003862 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2AR
SCHEMBL22184957 0.82 POLB (0.63) ALDH1A1KDM4EUSP2ARACHE
SCHEMBL17986256 0.82 AR (0.45) ALDH1A1KDM4EUSP2ARACHE
SCHEMBL15298755 0.80 AR (0.59) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL15832015 0.79 PRKCQ (0.55) ALDH1A1KDM4EUSP2ARACHE
SCHEMBL16952923 0.79 ACHE (0.56) ALDH1A1KDM4EUSP2ARACHE
SCHEMBL19757165 0.79 ACHE (0.56) ALDH1A1KDM4EUSP2ARACHE
SCHEMBL30730992 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EUSP2ARIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129016-A1 PHOTOREDOX METHODS FOR RADIOCYANATION OF ARENES AND USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-04-24 US disclosed
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
WO-2023168367-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS IMMUNESENSOR THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
US-11608322-B2 Reagents and process for direct C—H functionalization STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-03-21 US disclosed
EP-3350170-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-01-26 EP disclosed
US-20220002263-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2022-01-06 US disclosed
EP-3715347-B1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORP (US) 2021-12-22 EP disclosed
EP-3350177-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-07-07 EP disclosed
EP-1887008-B1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2021-04-21 EP disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
EP-1219609-B1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO (JP) 2007-04-04 EP disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
WO-2007002931-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-04 WO disclosed
WO-1983000333-A1 ANTI-HYPERTENSOR, HETEROCYCLICALLY DI-ORTHOSUBSTITUTED PHENOLS TEULON, JEAN-MARIE 1983-02-03 WO disclosed
EP-0070779-A2 Di-ortho-substituted phenols of which one of the substitutions is a heterocycle, process for their preparation, anti-hypertensive medicines containing them and synthesis intermediates CARPIBEM (CENTRE D'ACTIVITE ET DE RECHERCHE PHARMACEUTIQUE INDUSTRIELLE BIOLOGIQUE ET MEDICALE) Société Anonyme dite: (FR) 1983-01-26 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 (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-20220002263-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH ALDH1A1 283/4885KDM4E 739/4885USP2 819/4885
US-20250129016-A1 PHOTOREDOX METHODS FOR RADIOCYANATION OF ARENES AND USE THEREOF RCC2, PPOX, FTO ALDH1A1 2660/4885KDM4E 290/4885USP2 4032/4885
US-11608322-B2 Reagents and process for direct C—H functionalization CFH, DOHH, CTSH ALDH1A1 287/4885KDM4E 698/4885USP2 807/4885
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 ALDH1A1 3742/4885KDM4E 881/4885USP2 4328/4885

“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.