SCHEMBL13010096

SCHEMBL13010096

COC(=O)Cn1ccnc1N

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.45
ARG1 P05089 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TYMP P19971 1/20 0.36
POLB P06746 1/20 0.36
FPR2 P25090 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KCNH2 Q12809 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
SCHEMBL16364921 0.83 TLR8 (0.50) TLR8ARG1SMN1; SMN2KMT2AALDH1A1
SCHEMBL2960305 0.81 ALPL (0.50) SMN1; SMN2GAAKDM4EKMT2AALDH1A1
SCHEMBL12145480 0.79 ARG1 (0.41) TLR8ARG1TYMPFPR2KCNH2
SCHEMBL938206 0.78 ARG1 (0.53) TLR8ARG1SMN1; SMN2KMT2AALDH1A1
SCHEMBL3582565 0.78 FPR2 (0.43) SMN1; SMN2GAAKDM4EKMT2AALDH1A1
SCHEMBL3594313 0.77 GFER (0.56) SMN1; SMN2GAAKMT2AALDH1A1POLB
SCHEMBL4963238 0.77 SMN1; SMN2 (0.40) SMN1; SMN2GAAKDM4EKMT2AALDH1A1
SCHEMBL5765600 0.76 SMN1; SMN2 (0.42) SMN1; SMN2GAAKDM4EKMT2AALDH1A1
SCHEMBL3581846 0.76 SMN1; SMN2 (0.39) SMN1; SMN2GAAKDM4EKMT2AALDH1A1
SCHEMBL13072246 0.76 SMN1; SMN2 (0.39) SMN1; SMN2GAAKDM4EKMT2AALDH1A1

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 3 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-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 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 (1 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 TLR8 2515/4885ARG1 4224/4885SMN1; SMN2 1724/4885

“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.