SCHEMBL2531671

SCHEMBL2531671

COc1cccc(NC(=O)c2cc(C)on2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.74
NPC1 O15118 5/20 0.73
RAB9A P51151 4/20 0.73
ALDH1A1 P00352 4/20 0.69
USP2 O75604 1/20 0.69
STAT1 P42224 2/20 0.68
MAPT P10636 4/20 0.66
KDM4E B2RXH2 2/20 0.66
GRM4 Q14833 1/20 0.64
HSD17B10 Q99714 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
TP53 P04637 3/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
NFKB1 P19838 1/20 0.62
CYP2C19 P33261 1/20 0.62
STAT3 P40763 1/20 0.62

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
SCHEMBL8267163 0.87 SMN1; SMN2 (0.88) SMN1; SMN2NPC1RAB9AALDH1A1USP2
SCHEMBL8267289 0.85 RAB9A (1.00) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL10192041 0.83 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9AALDH1A1USP2
SCHEMBL8267293 0.82 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9AALDH1A1USP2
SCHEMBL14074104 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1USP2
SCHEMBL8266868 0.81 RAB9A (0.77) SMN1; SMN2NPC1RAB9AALDH1A1USP2
SCHEMBL27179495 0.81 MAPT (0.71) SMN1; SMN2NPC1RAB9AALDH1A1USP2
SCHEMBL30926778 0.81 MAPT (0.71) SMN1; SMN2NPC1RAB9AALDH1A1USP2
SCHEMBL8267156 0.81 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AALDH1A1USP2
SCHEMBL11534377 0.81 SMN1; SMN2 (0.77) SMN1; SMN2NPC1RAB9AALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 US claimed
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-03 US claimed
EP-2181091-A2 AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2010-05-05 EP claimed
WO-2009010454-A2 AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2009-01-22 WO claimed
US-8524726-B2 Amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-30 US disclosed
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-23 US disclosed
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 US disclosed
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-03 US disclosed
EP-2181091-A2 AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2010-05-05 EP disclosed
WO-2009010454-A2 AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2009-01-22 WO disclosed
US-7291743-B2 Isoxazole derivatives and methods of treating nitric oxide mediated diseases GENEBLUE CORPORATION (US) 2007-11-06 US disclosed
US-7291743-B2 Isoxazole derivatives and methods of treating nitric oxide mediated diseases GENEBLUE CORPORATION (US) 2007-11-06 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 (4 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-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 SMN1; SMN2 1604/4885NPC1 2148/4885RAB9A 1653/4885
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 SMN1; SMN2 1604/4885NPC1 2148/4885RAB9A 1653/4885
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM4, GRM1, GRM3 SMN1; SMN2 1604/4885NPC1 2148/4885RAB9A 1653/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 SMN1; SMN2 1604/4885NPC1 2148/4885RAB9A 1653/4885

“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.