SCHEMBL279264

SCHEMBL279264

CC(=O)Nc1ccc(C(=O)Nc2nc(C)c(CCO)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
ALDH1A1 P00352 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KMT2A Q03164 5/20 0.50
RXFP1 Q9HBX9 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
AGER Q15109 1/20 0.50
MAPT P10636 2/20 0.48
KDM4E B2RXH2 5/20 0.48
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 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
SCHEMBL14293840 0.84 ITGB3 (0.50) ITGB3ITGA2BALDH1A1NPC1RAB9A
SCHEMBL29044468 0.84 SMN1; SMN2 (0.59) ITGB3ITGA2BALDH1A1NPC1RAB9A
SCHEMBL8811568 0.83 PIK3CG (0.56) ITGB3ITGA2BALDH1A1HPGDPIK3CD
SCHEMBL259332 0.82 ITGB3 (0.48) ITGB3ITGA2BALDH1A1NPC1RAB9A
SCHEMBL16607194 0.82 RAB9A (0.69) ALDH1A1NPC1RAB9AKMT2ARXFP1
SCHEMBL16607226 0.79 KMT2A (0.49) ITGB3ITGA2BALDH1A1NPC1RAB9A
SCHEMBL16607224 0.79 MAPT (0.50) ITGB3ITGA2BALDH1A1NPC1RAB9A
SCHEMBL29044445 0.78 ITGB3 (0.50) ITGB3ITGA2BALDH1A1NPC1RAB9A
SCHEMBL259827 0.77 TP53 (0.62) ITGB3ITGA2BALDH1A1NPC1RAB9A
SCHEMBL16607174 0.76 ALDH1A1 (0.75) ALDH1A1NPC1RAB9AKMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134010-B2 4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenylamine; N-{4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenyl}-acetamide; or4-Methyl-5-(2-nitrooxy-ethyl)-2-(4-nitro-phenyl)-thiazole; cardiovascular, gastrointestinal, inflammatory, respiratory disease RENOPHARM LTD. (IL) 2012-03-13 US disclosed
US-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2008-09-25 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 (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-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof NOS2, NOS1, SQOR ITGB3 4184/4885ITGA2B 3959/4885ALDH1A1 240/4885

“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.