SCHEMBL3032012

SCHEMBL3032012

Cc1ccc(NC(=O)Cn2cnc3ccccc32)cc1F

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.81
HTT P42858 2/20 0.81
LMNA P02545 1/20 0.60
PKM P14618 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
NPC1 O15118 2/20 0.55
MGLL Q99685 1/20 0.54
USP2 O75604 1/20 0.53
POLB P06746 2/20 0.52
RAB9A P51151 1/20 0.52
MCL1 Q07820 1/20 0.52

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
SCHEMBL3038969 0.90 SMN1; SMN2 (1.00) SMN1; SMN2HTTLMNAPKML3MBTL1
SCHEMBL27645591 0.84 SMN1; SMN2 (0.78) SMN1; SMN2HTTLMNAPKML3MBTL1
SCHEMBL3039183 0.84 SMN1; SMN2 (0.81) SMN1; SMN2HTTLMNAPKML3MBTL1
SCHEMBL13489998 0.80 SMN1; SMN2 (0.71) SMN1; SMN2HTTLMNAPKML3MBTL1
SCHEMBL1038322 0.79 SMN1; SMN2 (0.69) SMN1; SMN2HTTLMNAPKML3MBTL1
SCHEMBL22246554 0.79 SMN1; SMN2 (0.69) SMN1; SMN2HTTLMNAPKML3MBTL1
SCHEMBL1036986 0.79 SMN1; SMN2 (0.69) SMN1; SMN2HTTLMNAPKML3MBTL1
SCHEMBL3043116 0.78 SMN1; SMN2 (0.68) SMN1; SMN2HTTLMNAPKML3MBTL1
SCHEMBL1038642 0.78 MGLL (0.70) SMN1; SMN2HTTLMNAPKML3MBTL1
SCHEMBL1036975 0.78 SMN1; SMN2 (0.68) SMN1; SMN2HTTLMNAPKML3MBTL1

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 11 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
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
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 2297/4885HTT 3463/4885LMNA 671/4885

“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.