SCHEMBL2510097

SCHEMBL2510097

COc1ccc(Cn2cc(-c3csc(Nc4ccccn4)n3)c(C#N)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.56
RAB9A P51151 14/20 0.56
MEN1 O00255 11/20 0.56
KMT2A Q03164 11/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 4/20 0.56
NFKB1 P19838 3/20 0.56
NFKB2 Q00653 3/20 0.56
RELA Q04206 3/20 0.56
MAPK1 P28482 2/20 0.56
HTT P42858 1/20 0.56
GRM4 Q14833 2/20 0.43
MECP2 P51608 1/20 0.43
KCNN1 Q92952 1/20 0.43
KCNN2 Q9H2S1 1/20 0.43
MBD2 Q9UBB5 1/20 0.43
KCNN3 Q9UGI6 1/20 0.43
AMY1A P0DUB6 1/20 0.43
TP53 P04637 3/20 0.42
LMNA P02545 2/20 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
SCHEMBL2535401 0.88 NPC1 (0.60) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3354435 0.86 NPC1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3354574 0.84 NPC1 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2529547 0.84 NPC1 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2532075 0.79 NPC1 (0.67) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL370879 0.77 MEN1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3355868 0.76 NPC1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4237882 0.74 MEN1 (0.57) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3353129 0.74 NPC1 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL370431 0.74 CYP1A2 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073907-B2 Thiazoles derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2015-07-07 US disclosed
EP-2376486-B1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2013-11-06 EP disclosed
US-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-10-20 US disclosed
EP-2376486-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2011-10-19 EP disclosed
WO-2010079239-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2010-07-15 WO 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-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM2, GRM1 NPC1 1128/4885RAB9A 2177/4885MEN1 3967/4885

“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.