SCHEMBL6985283

SCHEMBL6985283

Cc1nc(N)sc1C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 3/20 0.51
HPGD P15428 1/20 0.49
CYP1A2 P05177 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
LCK P06239 3/20 0.43
NOS1 P29475 1/20 0.39
HSD17B10 Q99714 1/20 0.38
GRM6 O15303 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
UBE2N P61088 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL12034441 0.82 CDC7 (0.44) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL13494055 0.82 NPC1 (0.47) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL27890409 0.81 ALDH1A1 (0.44) ALDH1A1MAPTHPGDCYP1A2NPC1
SCHEMBL22750755 0.81 LCK (0.41) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL276275 0.80 ALDH1A1 (0.62) ALDH1A1MAPTHPGDCYP1A2NPC1
Hydrochloric Acid SCHEMBL25254285 0.80 ALDH1A1 (0.43) ALDH1A1MAPTHPGDCYP1A2NPC1
SCHEMBL5528925 0.79 CNR1 (0.46) ALDH1A1HPGDNPC1RAB9ALCK
Ammonia Solution, Strong SCHEMBL29139499 0.79 LCK (0.36) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL22750819 0.79 HPGD (0.46) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL244752 0.77 ALDH1A1 (0.73) ALDH1A1MAPTHPGDCYP1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2025-03-13 US disclosed
CN-119421877-A Substituted heterocyclic compounds as HSET inhibitors 默克专利股份公司 2025-02-11 CN disclosed
EP-4463444-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2024-11-20 EP disclosed
WO-2023131690-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2023-07-13 WO disclosed
CN-106632134-B 2- (4-thiazolinone-2-imino) thiazole-5-carboxylic ester and preparation method and application thereof 湖南大学 2020-01-03 CN disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 WO 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 (2 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-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS VHL, CDKN1A, CCNI ALDH1A1 1680/4885MAPT 3266/4885HPGD 204/4885
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 ALDH1A1 1026/4885MAPT 4824/4885HPGD 620/4885

“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.