SCHEMBL3064978

SCHEMBL3064978

CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(-c3nnco3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5AP P20292 3/20 0.36
NOTUM Q6P988 3/20 0.33
TP53 P04637 1/20 0.33
P2RX7 Q99572 4/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
CSF1R P07333 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL3059668 0.93 MAPT (0.37) MAPTSMN1; SMN2MEN1GAARAB9A
SCHEMBL5625243 0.89 MEN1 (0.33) MAPTSMN1; SMN2MEN1GAARAB9A
SCHEMBL3072824 0.88 MEN1 (0.35) MAPTSMN1; SMN2MEN1GAARAB9A
SCHEMBL3061511 0.88 ALOX5AP (0.36) ALOX5APTP53ALDH1A1TSHRHTT
SCHEMBL3060646 0.84 ALOX5AP (0.36) ALOX5APTP53BRD4CREBBP
SCHEMBL13089665 0.84 NOTUM (0.33) MAPTSMN1; SMN2MEN1GAARAB9A
SCHEMBL3070352 0.83 ALOX5AP (0.36) RAB9AKMT2AALOX5APTP53BRD4
SCHEMBL3062158 0.82 NOTUM (0.47) MAPTGAAALOX5APNOTUMP2RX7
SCHEMBL3065459 0.82 NOTUM (0.44) MAPTSMN1; SMN2MEN1GAARAB9A
SCHEMBL3070337 0.81 TP53 (0.33) ALOX5APTP53CSF1RPIM1PIM3

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 MAPT 1046/4885SMN1; SMN2 1724/4885MEN1 3395/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 MAPT 1046/4885SMN1; SMN2 1724/4885MEN1 3395/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 MAPT 1046/4885SMN1; SMN2 1724/4885MEN1 3395/4885

“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.