SCHEMBL264057

SCHEMBL264057

Cc1nc(C(C)c2ccc(C(=O)c3ccccc3)cc2)sc1CCO[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.48
PTGS2 P35354 6/20 0.48
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
ALOX5AP P20292 1/20 0.35
ALOX5 P09917 1/20 0.34
ESR2 Q92731 2/20 0.34
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL263985 0.90 PTGS1 (0.40) PTGS1PTGS2GAAMAPTKMT2A
SCHEMBL280151 0.84 GAA (0.38) GAAALDH1A1ALOX5APRAB9AKMT2A
SCHEMBL263963 0.81 PTGS2 (0.42) PTGS1PTGS2ALOX5APALOX5
SCHEMBL263846 0.79 AKR1C3 (0.40) PTGS1PTGS2MAPTKMT2AMEN1
SCHEMBL263866 0.77 COPS5 (0.40) PTGS1PTGS2MAPT
SCHEMBL263948 0.77 COPS5 (0.40) PTGS1PTGS2MAPT
SCHEMBL259774 0.76 PTGS1 (0.39) PTGS1PTGS2MAPTKMT2AMEN1
SCHEMBL259132 0.75
SCHEMBL264043 0.74 GAA (0.33) PTGS1PTGS2GAAMAPT
SCHEMBL259444 0.72 PTGS1 (0.39) PTGS1PTGS2GAAALDH1A1MAPT

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-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-7968575-B2 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2011-06-28 US disclosed
US-7579477-B2 Thiazole-based nitric oxide donors having alkyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2009-08-25 US disclosed
US-7498445-B2 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2009-03-03 US disclosed
US-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 US disclosed
US-7332513-B2 Thiazole-based nitric oxide donors having acyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-02-19 US disclosed
US-7189750-B2 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof RENOPHARM LTD. (IL) 2007-03-13 US disclosed
US-20070021382-A1 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2007-01-25 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-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 PTGS1 20/4885PTGS2 40/4885GAA 1722/4885

“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.