SCHEMBL3068007

SCHEMBL3068007

CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3noc(C)n3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
MET P08581 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
ALOX5AP P20292 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
GRM5 P41594 3/20 0.34
RPS6KA5 O75582 1/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3049258 0.89 CYP11B1 (0.40) ALOX5APKMT2ACYP11B1CYP11B2RPS6KA5
SCHEMBL3060523 0.88 ALDH1A1 (0.36) HDAC1HDAC6HDAC8RAB9AKMT2A
SCHEMBL3069881 0.86 ADORA2B (0.38) L3MBTL1METHDAC1HDAC6HDAC8
SCHEMBL3060296 0.86 CYP11B1 (0.39) ALOX5APKMT2ACYP11B1CYP11B2RPS6KA5
SCHEMBL3064255 0.86 BRD4 (0.49) BRD4ALDH1A1NPSR1KDM4EUSP2
SCHEMBL14368627 0.86 DRD2 (0.37) HDAC1HDAC6KMT2ACYP11B1CYP11B2
SCHEMBL3066093 0.84 ALDH1A1 (0.40) TRPM8CYP11B1CYP11B2RPS6KA5ALDH1A1
SCHEMBL3062477 0.84 PTGER4 (0.46) ALOX5AP
SCHEMBL3062158 0.83 NOTUM (0.47) ALOX5APCYP11B1CYP11B2ALDH1A1NPSR1
SCHEMBL3066963 0.83 MET (0.39) METCYP11B1CYP11B2RPS6KA5ALDH1A1

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 16 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 claimed
EP-1368342-B1 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2005-09-07 EP claimed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 US claimed
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-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-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-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 L3MBTL1 4440/4885MET 2437/4885HDAC1 1022/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 L3MBTL1 4440/4885MET 2437/4885HDAC1 1022/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 L3MBTL1 4440/4885MET 2437/4885HDAC1 1022/4885

“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.