SCHEMBL3067783

SCHEMBL3067783

CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(C(=O)N3CCCCC3c3cccnc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GPBAR1 Q8TDU6 9/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL3054940 0.85 PDK2 (0.37) NPC1RAB9APOLBKMT2A
SCHEMBL3055987 0.84 RAB9A (0.40) NPC1RAB9AMEN1KMT2A
SCHEMBL3065708 0.80 CNR2 (0.40) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL3055231 0.79 JAK2 (0.36) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL13089648 0.78 MAPK10 (0.40) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL3054960 0.78 PTGER4 (0.39) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL3067526 0.78 MEN1 (0.38) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13548030 0.77 CNR2 (0.31) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL3070457 0.77 MEN1 (0.49) KDM4EALDH1A1LMNAPOLBMEN1
SCHEMBL13010691 0.76 MEN1 (0.40) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US 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-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 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 KDM4E 1996/4885ALDH1A1 470/4885NPC1 1104/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 KDM4E 1996/4885ALDH1A1 470/4885NPC1 1104/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 KDM4E 1996/4885ALDH1A1 470/4885NPC1 1104/4885

“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.