SCHEMBL3411110

SCHEMBL3411110

CCn1c(Cn2ccnc2-c2cccc(Cl)c2)nc2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
PTGER4 P35408 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
AVPR1A P37288 1/20 0.38
CYP19A1 P11511 2/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARG P37231 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.36
NLRP3 Q96P20 1/20 0.36
MC4R P32245 1/20 0.36
GRM2 Q14416 1/20 0.36
TBXA2R P21731 1/20 0.36
LMNA P02545 3/20 0.35

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
SCHEMBL3060446 0.92 MAPT (0.42) BRD4PTGER4ALDH1A1APOBEC3GKMT2A
SCHEMBL3059704 0.92 TP53 (0.42) BRD4ALDH1A1POLBAPOBEC3GKMT2A
SCHEMBL3055454 0.88 MAPT (0.39) PTGER4ALDH1A1APOBEC3GKMT2AMEN1
SCHEMBL3059869 0.88 CYP11B1 (0.41) BRD4ALDH1A1POLBAPOBEC3GKMT2A
SCHEMBL3060244 0.87 BRD4 (0.40) BRD4ALDH1A1POLBAPOBEC3GKMT2A
SCHEMBL3062901 0.86 TP53 (0.42) BRD4ALDH1A1POLBAPOBEC3GKMT2A
SCHEMBL3050242 0.86 PTGER4 (0.38) PTGER4ALDH1A1MAPTPPARGTP53
SCHEMBL3065208 0.86 TSHR (0.45) BRD4PTGER4ALDH1A1POLBAPOBEC3G
SCHEMBL3060152 0.85 THRB (0.52) PTGER4ALDH1A1POLBKMT2AMEN1
SCHEMBL3059306 0.85 ALDH1A1 (0.45) BRD4PTGER4ALDH1A1KMT2ARAB9A

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 14 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-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 BRD4 138/4885PTGER4 1205/4885ALDH1A1 470/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 BRD4 138/4885PTGER4 1205/4885ALDH1A1 470/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 BRD4 138/4885PTGER4 1205/4885ALDH1A1 470/4885

“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.