SCHEMBL2171482

SCHEMBL2171482

O=C(O)c1n[nH]c2c1COc1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
ALPL P05186 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HSD17B10 Q99714 2/20 0.59
KMT2A Q03164 2/20 0.47
HCAR2 Q8TDS4 6/20 0.42
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
NOTUM Q6P988 1/20 0.41
THRB P10828 1/20 0.39
KDR P35968 1/20 0.38
MAOB P27338 1/20 0.38
GLA P06280 2/20 0.38
PIM1 P11309 2/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 1/20 0.38
GSR P00390 2/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 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
SCHEMBL30290797 0.87 KDM4E (0.51) KDM4EALPLALDH1A1HSD17B10KMT2A
SCHEMBL2548371 0.84 ALDH1A1 (0.48) KDM4EALPLALDH1A1HSD17B10KMT2A
SCHEMBL4008228 0.82 ALPL (0.43) KDM4EALPLALDH1A1HSD17B10KMT2A
SCHEMBL2172075 0.81 KDM4E (0.42) KDM4EALPLALDH1A1HSD17B10KMT2A
SCHEMBL2175776 0.81 NPC1 (0.48) KDM4EALPLALDH1A1HSD17B10KMT2A
SCHEMBL4728706 0.81 ALPL (0.43) KDM4EALPLALDH1A1HSD17B10HCAR2
SCHEMBL3933396 0.81 ALPL (0.41) KDM4EALPLALDH1A1HSD17B10KMT2A
SCHEMBL3747711 0.78 KMT2A (0.44) KDM4EALPLALDH1A1HSD17B10KMT2A
SCHEMBL3518121 0.78 ALDH1A1 (0.43) KDM4EALPLALDH1A1HSD17B10KMT2A
SCHEMBL2173919 0.77 GPBAR1 (0.44) KDM4EALPLALDH1A1HSD17B10GAA

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 12 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 disclosed
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US disclosed
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
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 US disclosed
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 US disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 WO disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 WO disclosed
EP-0420883-B1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5166152-A Immunostimulants, bactericides, viricides, antitumor agents FARMITALIA CARLO ERBA S.R.L. (IT) 1992-11-24 US disclosed
EP-0420883-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1991-04-10 EP disclosed
WO-1989012638-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-12-28 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 (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-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GRM5, GRM1, GRM3 KDM4E 1812/4885ALPL 4758/4885ALDH1A1 4184/4885
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease CHRNA7, CHRNA6, CHRNA5 KDM4E 2916/4885ALPL 4622/4885ALDH1A1 1722/4885

“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.