SCHEMBL279457

SCHEMBL279457

Cc1nc(-c2ccccc2O)sc1CCON(O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.44
HTR2B P41595 1/20 0.42
HSD17B10 Q99714 1/20 0.35
HTR2C P28335 2/20 0.35
FFAR1 O14842 2/20 0.35
CASR P41180 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
USP2 O75604 1/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
PPARD Q03181 1/20 0.33

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
SCHEMBL10207178 0.87 MAPT (0.40) HTR2CFFAR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL280047 0.87 FFAR1 (0.46) HTR2CFFAR1LMNAMAPTTP53
SCHEMBL279897 0.85 HTR2C (0.50) HSD17B10HTR2CALDH1A1LMNA
SCHEMBL280301 0.84 TP53 (0.44) HSD17B10FFAR1ALDH1A1LMNAMAPT
SCHEMBL279488 0.84 TP53 (0.40) HTR2CFFAR1LMNAMAPTHTT
SCHEMBL278857 0.83 LMNA (0.48) FFAR1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL13763088 0.82 CYP1A2 (0.34) FFAR1LMNAMAPTTP53THRB
SCHEMBL280307 0.81 P2RX7 (0.40) HTR2CALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL280414 0.81 TSHR (0.43) HTR2CFFAR1SMN1; SMN2LMNAMAPT
SCHEMBL279266 0.81 SCN9A (0.37) FFAR1LMNATP53PPARD

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 TRPM8 942/4885HTR2B 1205/4885HSD17B10 296/4885

“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.