SCHEMBL2902575

SCHEMBL2902575

CCN(Cc1cc(-c2cccc(Cl)c2)on1)/C(=N/C)SC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 5/20 0.43
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2902577 1.00 ALDH1A1 (0.43) ALDH1A1MAPK1TP53NPC1RAB9A
SCHEMBL13871030 1.00 ALDH1A1 (0.43) ALDH1A1MAPK1TP53NPC1RAB9A
SCHEMBL2904201 0.88 MEN1 (0.38) ALDH1A1MAPK1TP53NPC1RAB9A
SCHEMBL2904200 0.88 MEN1 (0.38) ALDH1A1MAPK1TP53NPC1RAB9A
SCHEMBL13871035 0.88 MEN1 (0.38) ALDH1A1MAPK1TP53NPC1RAB9A
SCHEMBL3365446 0.87 TP53 (0.49) ALDH1A1MAPK1TP53NPC1RAB9A
SCHEMBL3365444 0.87 TP53 (0.49) ALDH1A1MAPK1TP53NPC1RAB9A
SCHEMBL2916178 0.83 TP53 (0.41) ALDH1A1MAPK1TP53NPC1RAB9A
SCHEMBL2916174 0.83 TP53 (0.41) ALDH1A1MAPK1TP53NPC1RAB9A
SCHEMBL8041934 0.83 TP53 (0.41) ALDH1A1MAPK1TP53NPC1RAB9A

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 4 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

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 ALDH1A1 4164/4885MAPK1 1575/4885TP53 4884/4885

“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.