SCHEMBL1036045

SCHEMBL1036045

O=C(Cn1cnc2ccccc21)Nc1cccc(-c2cc(C(F)(F)F)ccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
PKM P14618 1/20 0.56
HTT P42858 2/20 0.54
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
MGLL Q99685 1/20 0.49
LMNA P02545 3/20 0.49
AURKA O14965 1/20 0.48
KDR P35968 1/20 0.48
AURKB Q96GD4 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ORAI1 Q96D31 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL5426433 0.92 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1PKMHTTGAA
SCHEMBL1038332 0.89 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1PKMHTTGAA
SCHEMBL3035199 0.87 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1PKMHTTGAA
SCHEMBL1038443 0.87 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1PKMHTTGAA
SCHEMBL1037358 0.86 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1PKMHTTMGLL
SCHEMBL1038840 0.84 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1PKMHTTGAA
SCHEMBL5428173 0.83 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1PKMHTTGAA
SCHEMBL1036944 0.82 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1PKMHTTGAA
SCHEMBL1037469 0.81 SMN1; SMN2 (0.69) SMN1; SMN2L3MBTL1PKMHTTMGLL
SCHEMBL5427896 0.81 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1PKMHTTGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948616-B1 2-(BENZIMIDAZOL-1-YL)-ACETAMIDE BIARYL DERIVATIVES AND THEIR USE AS INHIBITORS OF THE TRPV1 RECEPTOR ORGANON NV (NL) 2011-01-26 EP claimed
US-7482469-B2 2-(benzimidazol-1-yl)-acetamide bisaryl derivatives N.V. ORGANON (NL) 2009-01-27 US claimed
EP-1948616-B1 2-(BENZIMIDAZOL-1-YL)-ACETAMIDE BIARYL DERIVATIVES AND THEIR USE AS INHIBITORS OF THE TRPV1 RECEPTOR ORGANON NV (NL) 2011-01-26 EP disclosed
US-7482469-B2 2-(benzimidazol-1-yl)-acetamide bisaryl derivatives N.V. ORGANON (NL) 2009-01-27 US disclosed
US-20070112034-A1 2-(benzimidazol-1-yl)-acetamide bisaryl derivatives AKZO NOBEL N.V. (NL) 2007-05-17 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-20070112034-A1 2-(benzimidazol-1-yl)-acetamide bisaryl derivatives TRPV1, TRPV3, TRPV2 SMN1; SMN2 3054/4885L3MBTL1 4312/4885PKM 3922/4885

“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.