SCHEMBL5726136

SCHEMBL5726136

CC(=O)c1sc([N+](=O)[O-])cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.40
MEN1 O00255 5/20 0.40
MAPT P10636 5/20 0.40
KMT2A Q03164 5/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 3/20 0.38
MITF O75030 2/20 0.38
PAX8 Q06710 1/20 0.38
USP47 Q96K76 1/20 0.38
TSHR P16473 3/20 0.38
NPC1 O15118 2/20 0.37
MAPK1 P28482 1/20 0.37
USP7 Q93009 2/20 0.37
XBP1 P17861 1/20 0.37
TLR9 Q9NR96 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 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
SCHEMBL10639290 0.86 LMNA (0.40) LMNAMEN1MAPTKMT2AHTT
SCHEMBL4311290 0.85 TSHR (0.43) LMNAMEN1MAPTKMT2AHTT
SCHEMBL11923425 0.83 USP47 (0.37) LMNAMEN1MAPTKMT2AHTT
SCHEMBL6593278 0.83 LMNA (0.38) LMNAMEN1MAPTKMT2AHTT
SCHEMBL13545967 0.80 ALDH1A1 (0.45) LMNAMEN1MAPTKMT2AHTT
SCHEMBL5726004 0.79 GSK3B (0.42) LMNAMEN1MAPTKMT2AHTT
SCHEMBL16863723 0.76 LMNA (0.43) LMNAMEN1MAPTKMT2AHTT
SCHEMBL5852752 0.73 HSD17B10 (0.41) LMNAMEN1MAPTKMT2AHTT
SCHEMBL102004 0.73 ALDH1A1 (0.40) LMNAMEN1MAPTKMT2AHTT
SCHEMBL14029305 0.72 AKR1C3 (0.50) LMNAMEN1MAPTKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
EP-1056732-B1 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMA (US) 2006-01-11 EP disclosed
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CHONG WESLEY K M (US) 2003-11-27 US disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 US disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 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-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 LMNA 2405/4885MEN1 1999/4885MAPT 3466/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 LMNA 4312/4885MEN1 2827/4885MAPT 2606/4885

“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.