SCHEMBL259774

SCHEMBL259774

Cc1nc(C(C)c2cccs2)sc1CCO[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL264021 0.87 PTGS1 (0.35) PTGS1PTGS2HRH2HRH1HRH4
SCHEMBL263985 0.83 PTGS1 (0.40) PTGS1PTGS2HRH2HRH1HRH4
SCHEMBL280316 0.80 HRH2 (0.39) HRH2HRH1HRH4HRH3MAPT
SCHEMBL259132 0.79
SCHEMBL263963 0.77 PTGS2 (0.42) PTGS1PTGS2LMNA
SCHEMBL260396 0.77 KDM4E (0.47) PTGS1PTGS2MAPTLMNATP53
SCHEMBL263851 0.76
SCHEMBL263976 0.76
SCHEMBL3967660 0.76
SCHEMBL264057 0.76 PTGS1 (0.48) PTGS1PTGS2MAPTMEN1KMT2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968575-B2 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2011-06-28 US claimed
US-7579477-B2 Thiazole-based nitric oxide donors having alkyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2009-08-25 US claimed
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2006-03-30 US claimed
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-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-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-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-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-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-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
US-20070021382-A1 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2007-01-25 US disclosed
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US disclosed
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US disclosed
US-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US disclosed
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 disclosed
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2006-03-30 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 (6 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 PTGS1 31/4885PTGS2 33/4885HRH2 389/4885
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof NOS2, NOS1, NOS3 PTGS1 37/4885PTGS2 51/4885HRH2 219/4885
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof NOS2, NOS1, SQOR PTGS1 17/4885PTGS2 64/4885HRH2 669/4885
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof NOS2, NOS1, NOS3 PTGS1 21/4885PTGS2 24/4885HRH2 258/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 PTGS1 20/4885PTGS2 40/4885HRH2 273/4885
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof NOS1, NOS2, NOS3 PTGS1 17/4885PTGS2 41/4885HRH2 623/4885

“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.