SCHEMBL3068455

SCHEMBL3068455

CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.52
KMT2A Q03164 7/20 0.52
KDM4E B2RXH2 5/20 0.52
MEN1 O00255 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HSP90AA1 P07900 3/20 0.52
HSP90AB1 P08238 3/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 2/20 0.52
HSD17B10 Q99714 2/20 0.52
PABPC1 P11940 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
PTGER4 P35408 11/20 0.46
RECQL P46063 5/20 0.45
POLB P06746 4/20 0.45
YWHAG P61981 1/20 0.45
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44

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
SCHEMBL3055670 0.93 THRB (0.47) THRBKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3064366 0.93 KMT2A (0.43) THRBKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3060444 0.92 KDM4E (0.42) THRBKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3060755 0.92 KMT2A (0.50) THRBKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3060152 0.89 THRB (0.52) THRBKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3064117 0.88 F2 (0.41) THRBKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3049258 0.88 CYP11B1 (0.40) THRBKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3067501 0.88 KDM4E (0.39) THRBKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3067506 0.88 KDM4E (0.39) THRBKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3055159 0.85 THRB (0.52) THRBKMT2AKDM4EMEN1ALDH1A1

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 15 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-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-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 THRB 1628/4885KMT2A 1769/4885KDM4E 1996/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 THRB 1628/4885KMT2A 1769/4885KDM4E 1996/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 THRB 1628/4885KMT2A 1769/4885KDM4E 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.