SCHEMBL2904071

SCHEMBL2904071

CCNC(=S)N(C)Cc1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 7/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 6/20 0.41
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL1545441 0.89 TP53 (0.51) TP53ALDH1A1MAPK1RAB9AMAPT
SCHEMBL4090803 0.88 MAPT (0.39) TP53ALDH1A1MAPK1RAB9AMAPT
SCHEMBL2904222 0.86 NPC1 (0.53) TP53ALDH1A1MAPK1RAB9AMAPT
SCHEMBL2903372 0.80 ALDH1A1 (0.47) TP53ALDH1A1MAPK1RAB9AMAPT
SCHEMBL2896507 0.76 RAB9A (0.44) TP53ALDH1A1MAPK1RAB9AMAPT
SCHEMBL2901625 0.76 TP53 (0.47) TP53ALDH1A1MAPK1RAB9AMAPT
SCHEMBL13871033 0.76 TP53 (0.47) TP53ALDH1A1MAPK1RAB9AMAPT
SCHEMBL2901628 0.76 TP53 (0.47) TP53ALDH1A1MAPK1RAB9AMAPT
SCHEMBL3365444 0.76 TP53 (0.49) TP53ALDH1A1MAPK1RAB9AMAPT
SCHEMBL3365446 0.76 TP53 (0.49) TP53ALDH1A1MAPK1RAB9AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212316-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 AstraZeneca AB (SE) 2010-08-04 EP claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 TP53 4884/4885ALDH1A1 4164/4885MAPK1 1575/4885

“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.