SCHEMBL279508

SCHEMBL279508

CC(=O)Nc1ccc(-c2nc(C)c(CCON(O)O)s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.50
TP53 P04637 6/20 0.49
LMNA P02545 4/20 0.48
THRB P10828 2/20 0.45
SULT1A1 P50225 1/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL280312 0.83 MAPT (0.47) MAPTTP53LMNATHRBGAA
SCHEMBL259988 0.82 MAPT (0.48) MAPTTP53LMNATHRBSULT1A1
SCHEMBL14293840 0.81 ITGB3 (0.50) MAPTLMNAMEN1GAAHTT
SCHEMBL10207171 0.81 MAPT (0.49) MAPTTP53LMNATHRBMEN1
SCHEMBL279195 0.81 MAPT (0.41) MAPTTP53LMNATHRBGAA
SCHEMBL278857 0.80 LMNA (0.48) MAPTTP53LMNATHRBGAA
SCHEMBL279894 0.80 MAPT (0.40) MAPTTP53LMNATHRB
SCHEMBL279611 0.80 KDM4E (0.44) MAPTTP53LMNATHRB
SCHEMBL279899 0.80 PTGDR2 (0.44) MAPTTP53LMNATHRBGAA
SCHEMBL279881 0.79 CDC7 (0.47) MAPTTP53LMNATHRB

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 MAPT 4020/4885TP53 4221/4885LMNA 4210/4885

“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.