SCHEMBL3049353

SCHEMBL3049353

CCn1c(CCl)nc2cc(C#N)ccc21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.48
PTGER4 P35408 1/20 0.45
ALOX5AP P20292 6/20 0.44
CYP11B2 P19099 4/20 0.44
ACSS2 Q9NR19 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
ENPP1 P22413 1/20 0.41
CYP11B1 P15538 3/20 0.41
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3061472 0.89 ALOX5AP (0.43) S1PR1PTGER4ALOX5APKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3063212 0.88 ALOX5AP (0.42) S1PR1PTGER4ALOX5APKDM4EALDH1A1
SCHEMBL24320209 0.83 PTGER4 (0.53) S1PR1PTGER4ALOX5APKDM4EALDH1A1
SCHEMBL3732116 0.83 ALOX5AP (0.48) S1PR1ALOX5AP
SCHEMBL4726057 0.82 RORC (0.49) S1PR1PTGER4ALOX5APKDM4EALDH1A1
SCHEMBL28971006 0.81 KDM4E (0.59) S1PR1PTGER4CYP11B2ACSS2KDM4E
SCHEMBL10368883 0.79 NLRP3 (0.57) KDM4EALDH1A1GAAHTTMEN1
SCHEMBL7893298 0.78 PDE2A (0.42) ALOX5APKDM4EALDH1A1GLAGAA
SCHEMBL7019632 0.78 CYP11B2 (0.47) ALOX5APCYP11B2ACSS2CYP11B1MEN1
SCHEMBL3054151 0.78 PPARG (0.42) PTGER4KDM4EALDH1A1GAAMEN1

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 S1PR1 617/4885PTGER4 1205/4885ALOX5AP 3937/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 S1PR1 617/4885PTGER4 1205/4885ALOX5AP 3937/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 S1PR1 617/4885PTGER4 1205/4885ALOX5AP 3937/4885
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABRA1, GABBR2 S1PR1 559/4885PTGER4 1047/4885ALOX5AP 3958/4885

“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.