SCHEMBL3971233

SCHEMBL3971233

Cc1nc(-c2ccc(SSc3ccc(-c4nc(C)c(CCO[N+](=O)[O-])s4)cc3)cc2)sc1CCO[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 7/20 0.37
THRB P10828 2/20 0.37
MAPT P10636 10/20 0.37
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
PTPN1 P18031 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
SCHEMBL261446 0.89 MAPT (0.46) TP53RAB9ALMNATHRBMAPT
SCHEMBL260793 0.86 MAPT (0.47) TP53RAB9ALMNATHRBMAPT
SCHEMBL260581 0.86 RAB9A (0.53) TP53RAB9ALMNATHRBMAPT
SCHEMBL260156 0.86 MAPT (0.39) TP53RAB9ALMNATHRBMAPT
SCHEMBL260042 0.86 TP53 (0.49) TP53LMNATHRBMAPTPPARD
SCHEMBL259331 0.85 CDC7 (0.45) TP53RAB9ALMNATHRBMAPT
SCHEMBL264044 0.84 PTGDR2 (0.41) TP53RAB9ALMNATHRBMAPT
SCHEMBL260340 0.84 MAPT (0.51) TP53LMNAMAPTPPARGPPARD
SCHEMBL260007 0.83 PPARD (0.53) MAPTPPARGPPARDPPARA
SCHEMBL260722 0.83 MAPT (0.54) TP53RAB9ALMNATHRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US claimed
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2006-03-30 US claimed
US-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 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 (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-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof NOS2, NOS1, NOS3 TP53 3723/4885RAB9A 3306/4885LMNA 4357/4885
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof NOS2, NOS1, NOS3 TP53 3943/4885RAB9A 3080/4885LMNA 4082/4885

“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.