SCHEMBL259331

SCHEMBL259331

Cc1nc(-c2ccncc2)sc1CCO[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.45
DBF4 Q9UBU7 6/20 0.45
PTPN1 P18031 1/20 0.39
TP53 P04637 4/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
MAPT P10636 4/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
RAB9A P51151 1/20 0.37

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 0.88 MAPT (0.46) TP53LMNATHRBMAPTPPARD
SCHEMBL260042 0.88 TP53 (0.49) TP53LMNATHRBMAPTPPARD
SCHEMBL260581 0.86 RAB9A (0.53) TP53LMNATHRBMAPTPPARA
SCHEMBL260156 0.86 MAPT (0.39) PTPN1TP53LMNATHRBMAPT
SCHEMBL260793 0.86 MAPT (0.47) PTPN1TP53LMNATHRBMAPT
SCHEMBL260007 0.85 PPARD (0.53) MAPTPPARGPPARDPPARA
SCHEMBL260409 0.85 MAPT (0.51) CDC7DBF4LMNAMAPTRAB9A
SCHEMBL3971233 0.85 TP53 (0.38) PTPN1TP53LMNATHRBMAPT
SCHEMBL259567 0.85 CYP1A2 (0.33) PTPN1TP53LMNATHRBMAPT
SCHEMBL260340 0.84 MAPT (0.51) PTPN1TP53LMNAMAPTPPARG

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 23 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-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-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2008-09-25 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-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 (7 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 CDC7 3821/4885DBF4 1829/4885PTPN1 643/4885
US-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof NOS2, NOS1, NOS3 CDC7 3132/4885DBF4 1576/4885PTPN1 826/4885
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof NOS2, NOS1, NOS3 CDC7 3630/4885DBF4 1530/4885PTPN1 878/4885
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof NOS2, NOS1, SQOR CDC7 3821/4885DBF4 1829/4885PTPN1 643/4885
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof NOS2, NOS1, NOS3 CDC7 3210/4885DBF4 1695/4885PTPN1 1058/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 CDC7 3290/4885DBF4 1321/4885PTPN1 2328/4885
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof NOS1, NOS2, NOS3 CDC7 3807/4885DBF4 1525/4885PTPN1 427/4885

“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.