SCHEMBL7364727

SCHEMBL7364727

CSc1scc2c1C(=O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LRRK2 Q5S007 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DUSP10 Q9Y6W6 3/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CYP2A6 P11509 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL6799646 0.63 KDM4E (0.60) KDM4EALDH1A1POLBRXFP1LRRK2
SCHEMBL31435609 0.63 CYP11B2 (0.37) ALDH1A1LMNA
SCHEMBL7593726 0.63 KDM4E (0.42) KDM4EALDH1A1POLBRXFP1LRRK2
SCHEMBL6800532 0.62 GABRG2 (0.65) KDM4EALDH1A1POLBRXFP1LRRK2
SCHEMBL23111604 0.61 LRRK2 (0.60) KDM4EALDH1A1POLBRXFP1LRRK2
SCHEMBL2040799 0.60 BRD4 (0.36) KDM4EALDH1A1POLBRXFP1MAPT
SCHEMBL15329160 0.60 TSHR (0.47) CYP2A6MAOAMAOB
SCHEMBL2434846 0.60 ALDH1A1 (0.56) KDM4EALDH1A1POLBRXFP1LRRK2
SCHEMBL1060812 0.60 KDM4E (1.00) KDM4EALDH1A1POLBRXFP1LRRK2
SCHEMBL6196968 0.58 MEN1 (0.31) ALDH1A1MEN1KMT2ALMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001503408-A 2001-03-13 JP claimed
EP-0937072-A1 THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABA A? $g(a)5 RECEPTOR SUBTYPE MERCK SHARP & DOHME LTD. (GB) 1999-08-25 EP claimed
WO-1998018792-A1 THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABAA α5 RECEPTOR SUBTYPE MERCK SHARP & DOHME LIMITED (GB) 1998-05-07 WO claimed
US-20230181588-A1 Compounds and Compositions for Treating Fibrosis UNIV YALE (US) 2023-06-15 US disclosed
US-20230181588-A1 Compounds and Compositions for Treating Fibrosis UNIV YALE (US) 2023-06-15 US disclosed
US-11613526-B2 Thiophene derivatives MERCK PATENT GMBH (DE) 2023-03-28 US disclosed
US-11613526-B2 Thiophene derivatives MERCK PATENT GMBH (DE) 2023-03-28 US disclosed
US-11504373-B2 Compounds and compositions for treating fibrosis YALE UNIVERSITY (US) 2022-11-22 US disclosed
US-20210198233-A1 Thiophene derivatives MERCK PATENT GMBH (DE) 2021-07-01 US disclosed
US-20210198233-A1 Thiophene derivatives MERCK PATENT GMBH (DE) 2021-07-01 US disclosed
EP-3793989-A1 THIOPHENE DERIVATIVES Merck Patent GmbH (DE) 2021-03-24 EP disclosed
CN-112313211-A Thiophene derivatives 默克专利股份公司 2021-02-02 CN disclosed
US-20200390770-A1 Compounds and Compositions for Treating Fibrosis UNIV YALE (US) 2020-12-17 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 (5 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-11504373-B2 Compounds and compositions for treating fibrosis DUSP5, DUSP15, LPCAT3 KDM4E 631/4885ALDH1A1 1246/4885POLB 4165/4885
US-20210198233-A1 Thiophene derivatives HIF1A, HIF1AN, NCOA1 KDM4E 2461/4885ALDH1A1 240/4885POLB 1800/4885
US-11613526-B2 Thiophene derivatives HIF1A, HIF1AN, NCOA1 KDM4E 2461/4885ALDH1A1 240/4885POLB 1800/4885
US-20230181588-A1 Compounds and Compositions for Treating Fibrosis DUSP5, DUSP15, DUSP26 KDM4E 349/4885ALDH1A1 1636/4885POLB 3997/4885
US-20200390770-A1 Compounds and Compositions for Treating Fibrosis DUSP5, DUSP15, LPCAT3 KDM4E 631/4885ALDH1A1 1246/4885POLB 4165/4885

“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.