SCHEMBL259794

SCHEMBL259794

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 12/20 0.53
HRH4 Q9H3N8 6/20 0.53
HRH1 P35367 5/20 0.53
CYP1A2 P05177 1/20 0.53
NOS1 P29475 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
ALDH1A1 P00352 1/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
ADRB2 P07550 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL259776 0.85 ALDH1A1 (0.38) HRH2HRH4HRH1CYP1A2ALDH1A1
SCHEMBL259567 0.84 CYP1A2 (0.33) HRH2HRH4HRH1CYP1A2ALDH1A1
SCHEMBL260423 0.83 CYP1A2 (0.32) HRH2HRH4HRH1CYP1A2
SCHEMBL264059 0.83 CYP1A2 (0.32) HRH2HRH4HRH1CYP1A2
SCHEMBL259893 0.82 CYP1A2 (0.36) HRH2HRH4HRH1CYP1A2
SCHEMBL263967 0.81 CYP1A2 (0.31) HRH2HRH4HRH1CYP1A2
SCHEMBL261032 0.81 ITGB3 (0.32) HRH2HRH4HRH1CYP1A2
SCHEMBL260360 0.80 ALDH1A1 (0.31) HRH2HRH4HRH1CYP1A2ALDH1A1
SCHEMBL259450 0.80 PDK1 (0.31) HRH2HRH4HRH1CYP1A2
SCHEMBL259868 0.80 CYP1A2 (0.30) HRH2HRH4HRH1CYP1A2

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 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-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2008-09-25 US disclosed
EP-1753734-A1 NITRIC OXIDE DONORS AND USES THEREOF RENOPHARM LTD. (IL) 2007-02-21 EP 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
WO-2005105765-A1 NITRIC OXIDE DONORS AND USES THEREOF RENOPHARM LTD. (IL) 2005-11-10 WO disclosed
WO-2005105065-A2 THIAZOLE-BASED NITRIC OXIDE DONORS FOR TREATING INFLAMMATORY BOWEL DISEASES RENOPHARM LTD. (IL) 2005-11-10 WO 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 HRH2 669/4885HRH4 829/4885HRH1 1048/4885
US-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof NOS2, NOS1, NOS3 HRH2 389/4885HRH4 707/4885HRH1 927/4885
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof NOS2, NOS1, NOS3 HRH2 219/4885HRH4 474/4885HRH1 541/4885
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof NOS2, NOS1, SQOR HRH2 669/4885HRH4 829/4885HRH1 1048/4885
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof NOS2, NOS1, NOS3 HRH2 258/4885HRH4 729/4885HRH1 743/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 HRH2 273/4885HRH4 448/4885HRH1 434/4885
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof NOS1, NOS2, NOS3 HRH2 623/4885HRH4 867/4885HRH1 1062/4885

“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.