SCHEMBL260581

SCHEMBL260581

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
APP P05067 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
GAA P10253 2/20 0.43
MAPT P10636 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARA Q07869 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTPN11 Q06124 1/20 0.39
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39

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 0.90 MAPT (0.46) RAB9AGAAMAPTTP53LMNA
SCHEMBL260793 0.88 MAPT (0.47) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL260156 0.88 MAPT (0.39) RAB9AAPPGAAMAPTPPARA
SCHEMBL260042 0.87 TP53 (0.49) GAAMAPTALDH1A1TP53LMNA
SCHEMBL3971233 0.86 TP53 (0.38) RAB9AMAPTPPARATP53LMNA
SCHEMBL259331 0.86 CDC7 (0.45) RAB9AMAPTPPARATP53LMNA
SCHEMBL264044 0.85 PTGDR2 (0.41) RAB9AAPPGAAMAPTPPARA
SCHEMBL260340 0.85 MAPT (0.51) MAPTPPARATP53LMNA
SCHEMBL280168 0.84 RAB9A (0.53) RAB9AAPPMMP2MMP9MMP8
SCHEMBL260007 0.84 PPARD (0.53) GAAMAPTPPARAALDH1A1NPC1

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 26 patents — showing the first 20. 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 claimed
US-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2008-09-25 US claimed
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2006-08-17 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 (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 RAB9A 4299/4885APP 2022/4885MMP2 4498/4885
US-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof NOS2, NOS1, NOS3 RAB9A 3306/4885APP 3106/4885MMP2 4153/4885
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof NOS2, NOS1, NOS3 RAB9A 2959/4885APP 3089/4885MMP2 4217/4885
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof NOS2, NOS1, SQOR RAB9A 4299/4885APP 2022/4885MMP2 4498/4885
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof NOS2, NOS1, NOS3 RAB9A 3080/4885APP 2874/4885MMP2 3528/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 RAB9A 2424/4885APP 3168/4885MMP2 3045/4885
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof NOS1, NOS2, NOS3 RAB9A 4428/4885APP 1928/4885MMP2 4626/4885

“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.