SCHEMBL3035199

SCHEMBL3035199

O=C(Cn1cnc2ccccc21)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
L3MBTL1 Q9Y468 3/20 0.65
PKM P14618 1/20 0.65
HTT P42858 2/20 0.64
AURKA O14965 1/20 0.62
KDR P35968 1/20 0.62
AURKB Q96GD4 1/20 0.62
GAA P10253 1/20 0.60
TSHR P16473 1/20 0.60
RXFP1 Q9HBX9 1/20 0.58
LMNA P02545 5/20 0.57
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 6/20 0.54
TP53 P04637 3/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL1038332 0.94 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1PKMHTTAURKA
SCHEMBL3038758 0.88 LMNA (0.57) SMN1; SMN2L3MBTL1PKMHTTAURKA
SCHEMBL3037802 0.88 LMNA (0.57) SMN1; SMN2L3MBTL1PKMHTTAURKA
SCHEMBL1036045 0.87 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1PKMHTTAURKA
SCHEMBL5427896 0.85 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1PKMHTTAURKA
SCHEMBL1038443 0.85 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1PKMHTTAURKA
SCHEMBL3038223 0.84 RXFP1 (0.62) SMN1; SMN2L3MBTL1AURKAKDRAURKB
SCHEMBL3039177 0.84 RXFP1 (0.58) SMN1; SMN2L3MBTL1HTTGAARXFP1
SCHEMBL3038594 0.84 RXFP1 (0.56) SMN1; SMN2L3MBTL1GAARXFP1LMNA
SCHEMBL3037995 0.84 RXFP1 (0.63) SMN1; SMN2L3MBTL1HTTAURKAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP claimed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US claimed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN claimed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP claimed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 WO claimed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US disclosed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN disclosed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP disclosed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 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 (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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI SMN1; SMN2 2297/4885L3MBTL1 1610/4885PKM 106/4885

“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.