SCHEMBL3355335

SCHEMBL3355335

CCCc1n[nH]cc1-c1nsc(Nc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
ALDH1A1 P00352 4/20 0.41
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 5/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL3355680 0.84 GRM4 (0.38) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3356660 0.81 RAB9A (0.56) RAB9ANPC1KMT2AMEN1CASP3
SCHEMBL2210735 0.68 NPC1 (1.00) RAB9ANPC1KMT2AMEN1CASP3
SCHEMBL3358623 0.68 NPC1 (0.68) RAB9ANPC1KMT2AMEN1CASP3
SCHEMBL3354402 0.65 GRM4 (0.44) RAB9ANPC1KMT2AMEN1CASP3
SCHEMBL3360051 0.65 RAB9A (0.41) RAB9ANPC1KMT2AMEN1CASP3
SCHEMBL3355817 0.65 ALDH1A1 (0.41) RAB9ANPC1KMT2AMEN1CASP3
SCHEMBL4240553 0.64 NPC1 (0.54) RAB9ANPC1KMT2AMEN1CASP3
SCHEMBL28785190 0.64 ACHE (0.52) RAB9ANPC1KMT2AMEN1CASP3
SCHEMBL4242407 0.64 RAB9A (0.61) RAB9ANPC1KMT2AMEN1CASP3

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
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 US claimed
US-8524718-B2 Heteroaromatic derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE (CH) 2012-12-27 US disclosed
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 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 (2 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-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM4, GRM2 RAB9A 2813/4885NPC1 2378/4885KMT2A 1716/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 RAB9A 3067/4885NPC1 2504/4885KMT2A 1764/4885

“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.