SCHEMBL260200

SCHEMBL260200

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
XBP1 P17861 1/20 0.48
FAAH O00519 2/20 0.46
PTGS2 P35354 1/20 0.46
MAPK1 P28482 1/20 0.45
MAPT P10636 3/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CXCR1 P25024 3/20 0.42
CXCR2 P25025 3/20 0.42
CHRM1 P11229 1/20 0.42
PDE4A P27815 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL263659 1.00 LMNA (0.48) LMNAXBP1FAAHPTGS2MAPK1
SCHEMBL279782 0.85 LMNA (0.50) LMNAXBP1FAAHMAPK1MAPT
SCHEMBL263887 0.83 RIOK2 (0.48) LMNAPTGS2MAPTCA12CA1
SCHEMBL260350 0.83 RIOK2 (0.48) LMNAPTGS2MAPTCA12CA1
SCHEMBL259143 0.79 PTGS2 (0.42) LMNAFAAHPTGS2CXCR1CXCR2
SCHEMBL263963 0.79 PTGS2 (0.42) LMNAFAAHPTGS2CXCR1CXCR2
SCHEMBL5238956 0.77 PTGS2 (0.41) FAAHPTGS2
SCHEMBL260601 0.76 PSEN1 (0.40) LMNAMAPTNPSR1GAASMN1; SMN2
SCHEMBL260907 0.76 ALDH1A1 (0.46) LMNAMAPT
SCHEMBL260339 0.74 ITGB3 (0.43) LMNAMAPTRAB9ASMN1; SMN2

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 17 patents. 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-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-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-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 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
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-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 LMNA 4210/4885XBP1 4162/4885FAAH 1149/4885
US-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof NOS2, NOS1, NOS3 LMNA 4357/4885XBP1 3270/4885FAAH 3753/4885
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof NOS2, NOS1, NOS3 LMNA 4412/4885XBP1 3078/4885FAAH 2195/4885
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof NOS2, NOS1, SQOR LMNA 4210/4885XBP1 4162/4885FAAH 1149/4885
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof NOS2, NOS1, NOS3 LMNA 4082/4885XBP1 2966/4885FAAH 3118/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 LMNA 3973/4885XBP1 3517/4885FAAH 1337/4885
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof NOS1, NOS2, NOS3 LMNA 3851/4885XBP1 3666/4885FAAH 1899/4885

“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.