SCHEMBL279782

SCHEMBL279782

Cc1nc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)sc1CCON(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
XBP1 P17861 1/20 0.50
FAAH O00519 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 3/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CXCR1 P25024 3/20 0.44
CXCR2 P25025 3/20 0.44
CHRM1 P11229 1/20 0.44
PDE4A P27815 1/20 0.44
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 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 0.85 LMNA (0.48) LMNAXBP1FAAHMAPK1MAPT
SCHEMBL260200 0.85 LMNA (0.48) LMNAXBP1FAAHMAPK1MAPT
SCHEMBL280292 0.82 RIOK2 (0.49) LMNAMAPTCA12CA1CA2
SCHEMBL279332 0.78 ALOX5 (0.34) LMNAFAAHCXCR1CXCR2
SCHEMBL280450 0.75 ALDH1A1 (0.48)
SCHEMBL14210095 0.73 RAB9A (0.42) MAPK1MAPTGAASMN1; SMN2RAB9A
SCHEMBL29276751 0.71 LMNA (0.65) LMNAXBP1FAAHMAPK1MAPT
SCHEMBL280302 0.70 ITGB3 (0.32)
SCHEMBL279767 0.70 ITGB3 (0.32) GAA
SCHEMBL280072 0.70 FBP1 (0.31)

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 7 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.