SCHEMBL3054151

SCHEMBL3054151

CCn1c(CCl)nc2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
PTGER4 P35408 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 1/20 0.41
RAD52 P43351 1/20 0.41
TBXA2R P21731 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PKM P14618 1/20 0.39
NLRP3 Q96P20 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC1 Q13547 1/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2016798 0.84 KDM4E (0.44) PPARGPTGER4KMT2AMEN1KDM4E
SCHEMBL2014360 0.84 PPARG (0.45) PPARGPTGER4KMT2AMEN1KDM4E
SCHEMBL10368883 0.83 NLRP3 (0.57) KMT2AMEN1KDM4ERAD52TDP1
SCHEMBL14250115 0.82 MEN1 (0.54) PTGER4KMT2AMEN1TDP1PKM
SCHEMBL6244917 0.81 TSHR (0.50) TSHRHDAC1MAPK1
SCHEMBL31569891 0.81 RAB9A (0.52) KMT2AMEN1TBXA2RHDAC6TSHR
SCHEMBL14369083 0.79 KDM4E (0.64) PTGER4KMT2AKDM4ERAD52TDP1
SCHEMBL3049353 0.78 S1PR1 (0.48) PTGER4KMT2AMEN1KDM4EGAA
SCHEMBL15908535 0.77 TBXA2R (0.37) PPARGKMT2AMEN1TBXA2RLMNA
SCHEMBL4155796 0.77 MEN1 (0.68) KMT2AMEN1KDM4EPKMGAA

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 11 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-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-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
EP-1368342-B1 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2005-09-07 EP disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 US disclosed
EP-1368342-A2 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORPORATION (US) 2003-12-10 EP disclosed
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2003-04-10 US disclosed
WO-2002050062-A2 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORPORATION (US) 2002-06-27 WO 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 (4 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 PPARG 409/4885PTGER4 1205/4885KMT2A 1769/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 PPARG 409/4885PTGER4 1205/4885KMT2A 1769/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 PPARG 409/4885PTGER4 1205/4885KMT2A 1769/4885
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABRA1, GABBR2 PPARG 473/4885PTGER4 1047/4885KMT2A 1631/4885

“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.