SCHEMBL3059995

SCHEMBL3059995

CCn1c(Cn2ccnc2-c2cccc(C(F)(F)F)n2)nc2cc(C(C)=O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
THRB P10828 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PABPC1 P11940 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
RPS6KA5 O75582 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
GRIN2B Q13224 2/20 0.39
GRIN1 Q05586 1/20 0.39

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
SCHEMBL3060368 0.88 KMT2A (0.44) KMT2AMAPTKDM4EMEN1HSD17B10
SCHEMBL13089697 0.87 GRIN2B (0.39) KMT2AMEN1NPC1RAB9AGRIN2B
SCHEMBL3060665 0.86 KMT2A (0.44) KMT2AMAPTKDM4EMEN1HSD17B10
SCHEMBL13548147 0.84 GRM2 (0.48) KMT2AMAPTKDM4EMEN1HSD17B10
SCHEMBL3067473 0.84 KMT2A (0.48) KMT2AMAPTKDM4EMEN1HSD17B10
SCHEMBL3064366 0.82 KMT2A (0.43) KMT2AMAPTKDM4EMEN1HSD17B10
SCHEMBL3065708 0.81 CNR2 (0.40) KMT2AMAPTKDM4EMEN1HSD17B10
SCHEMBL3064276 0.81 KMT2A (0.46) KMT2AMAPTKDM4EMEN1HSD17B10
SCHEMBL3072717 0.81 KMT2A (0.44) KMT2AMAPTKDM4EMEN1HSD17B10
SCHEMBL3059306 0.80 ALDH1A1 (0.45) KMT2AMAPTKDM4EMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2006-02-02 US disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 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 (3 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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 KMT2A 1769/4885MAPT 1046/4885KDM4E 1996/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 KMT2A 1769/4885MAPT 1046/4885KDM4E 1996/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 KMT2A 1769/4885MAPT 1046/4885KDM4E 1996/4885

“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.