SCHEMBL3065422

SCHEMBL3065422

CCn1c(Cn2ccnc2-c2cc(F)ccc2F)nc2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
TBXA2R P21731 1/20 0.41
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 3/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
SLC2A1 P11166 1/20 0.37
GNRHR P30968 2/20 0.36
TSHR P16473 1/20 0.36
TGFBR1 P36897 2/20 0.36
HPGD P15428 1/20 0.36
PTGS2 P35354 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 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
SCHEMBL3060330 0.90 RPS6KA5 (0.41) ALDH1A1USP2TBXA2RSMN1; SMN2GAA
SCHEMBL14368290 0.87 NLRP3 (0.40) ALDH1A1USP2TBXA2RLMNASMN1; SMN2
SCHEMBL3065544 0.86 TBXA2R (0.39) TBXA2RLMNASMN1; SMN2HTT
SCHEMBL3060709 0.85 KDM4E (0.45) ALDH1A1USP2TBXA2RHTTGAA
SCHEMBL3065704 0.85 KMT2A (0.49) ALDH1A1LMNASMN1; SMN2CNR2
SCHEMBL3062446 0.84 CYP11B1 (0.36) ALDH1A1USP2TBXA2RLMNASMN1; SMN2
SCHEMBL3068783 0.84 MAPT (0.43) ALDH1A1LMNASMN1; SMN2HTTGAA
SCHEMBL3055159 0.84 THRB (0.52) ALDH1A1GAAHPGDKDM4E
SCHEMBL3054829 0.83 CNR2 (0.38) TBXA2RCNR2KDM4E
SCHEMBL3059727 0.83 RPS6KA5 (0.34) ALDH1A1USP2TBXA2RLMNASMN1; SMN2

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 15 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-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 470/4885USP2 4189/4885TBXA2R 188/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 ALDH1A1 470/4885USP2 4189/4885TBXA2R 188/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 ALDH1A1 470/4885USP2 4189/4885TBXA2R 188/4885

“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.