SCHEMBL3060446

SCHEMBL3060446

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
KMT2A Q03164 2/20 0.38
TBXA2R P21731 1/20 0.38
BRD4 O60885 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
NLRP3 Q96P20 1/20 0.36
GRM2 Q14416 1/20 0.36
CFTR P13569 1/20 0.35
PTGER4 P35408 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL3411110 0.92 BRD4 (0.39) MAPTLMNATP53HSD17B10TSHR
SCHEMBL3059704 0.92 TP53 (0.42) MAPTLMNATP53ALDH1A1APOBEC3G
SCHEMBL3054810 0.88 TP53 (0.39) MAPTLMNATP53ALDH1A1KMT2A
SCHEMBL3070468 0.88 MAPT (0.46) MAPTLMNAHSD17B10TSHRALDH1A1
SCHEMBL3050535 0.86 PTGER4 (0.41) MAPTLMNAHSD17B10TSHRALDH1A1
SCHEMBL3059869 0.84 CYP11B1 (0.41) MAPTTP53ALDH1A1APOBEC3GKMT2A
SCHEMBL3055454 0.84 MAPT (0.39) MAPTLMNATP53HSD17B10TSHR
SCHEMBL3062901 0.84 TP53 (0.42) MAPTLMNATP53ALDH1A1APOBEC3G
SCHEMBL3062324 0.83 TP53 (0.43) MAPTLMNATP53HSD17B10ALDH1A1
SCHEMBL3060244 0.83 BRD4 (0.40) MAPTTP53TSHRALDH1A1APOBEC3G

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 13 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-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 (2 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 MAPT 1046/4885LMNA 2796/4885TP53 4833/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 MAPT 1046/4885LMNA 2796/4885TP53 4833/4885

“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.