SCHEMBL3059306

SCHEMBL3059306

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
THRB P10828 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
GAA P10253 1/20 0.43
PABPC1 P11940 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
RPS6KA5 O75582 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NLRP3 Q96P20 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL3060152 0.93 THRB (0.52) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL3066097 0.92 KMT2A (0.50) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL3070320 0.90 MAPT (0.53) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL3066086 0.90 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL3072861 0.89 KDM4E (0.39) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL3072864 0.89 KDM4E (0.39) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL3064366 0.89 KMT2A (0.43) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL3059704 0.89 TP53 (0.42) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL3057417 0.87 GABRA1 (0.45) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL3063247 0.87 GABRA1 (0.38) ALDH1A1KMT2AMAPTKDM4EMEN1

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 18 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-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 ALDH1A1 470/4885KMT2A 1769/4885MAPT 1046/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 ALDH1A1 470/4885KMT2A 1769/4885MAPT 1046/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 ALDH1A1 470/4885KMT2A 1769/4885MAPT 1046/4885

“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.