SCHEMBL280414

SCHEMBL280414

CC(=O)Oc1ccccc1-c1nc(C)c(CCON(O)O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 3/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
HTR2C P28335 2/20 0.36
FFAR1 O14842 2/20 0.36
GAA P10253 2/20 0.35
PDE5A O76074 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
MAOB P27338 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARD Q03181 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
SCHEMBL259359 0.83 PTGS2 (0.48) TSHRSMN1; SMN2LMNAPTGDR2TP53
SCHEMBL279266 0.82 SCN9A (0.37) LMNATP53FFAR1PPARD
SCHEMBL279611 0.81 KDM4E (0.44) SMN1; SMN2LMNATP53MAPTFFAR1
SCHEMBL279457 0.81 TRPM8 (0.44) SMN1; SMN2LMNATP53MAPTHTR2C
SCHEMBL10207178 0.81 MAPT (0.40) SMN1; SMN2LMNATP53MAPTHTR2C
SCHEMBL280047 0.81 FFAR1 (0.46) LMNATP53MAPTHTR2CFFAR1
SCHEMBL279897 0.79 HTR2C (0.50) LMNAHTR2CALOX15KDM4E
SCHEMBL280301 0.78 TP53 (0.44) TSHRLMNATP53MAPTFFAR1
SCHEMBL280252 0.78 RAB9A (0.47) TSHRSMN1; SMN2LMNATP53MAPT
SCHEMBL279488 0.78 TP53 (0.40) LMNATP53MAPTHTR2CFFAR1

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 TSHR 1409/4885SMN1; SMN2 1627/4885LMNA 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.