SCHEMBL2187619

SCHEMBL2187619

O=C(Nc1ccc(Cl)cc1)c1n[nH]c2c1CCc1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HIF1A Q16665 1/20 0.42
XDH P47989 1/20 0.41
TNF P01375 1/20 0.41

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
SCHEMBL6195935 0.89 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6681499 0.84 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6632697 0.83 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6198600 0.82 NPC1 (0.64) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL10187028 0.80 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL21909759 0.79 RAB9A (0.52) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL3206132 0.77 GSR (0.53) RAB9ANPC1KDM4E
SCHEMBL6617104 0.77 PKM (0.47) RAB9ANPC1MAPT
SCHEMBL21376322 0.76 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL1160454 0.76 NPC1 (0.49) RAB9ANPC1SMN1; SMN2MAPTKDM4E

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
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US claimed
EP-2346832-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS Glaxo Group Limited (GB) 2011-07-27 EP claimed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 WO claimed
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US disclosed
EP-2346832-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS Glaxo Group Limited (GB) 2011-07-27 EP disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 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-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GRM5, GRM1, GRM3 RAB9A 3578/4885NPC1 2788/4885SMN1; SMN2 4351/4885

“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.