SCHEMBL3039183

SCHEMBL3039183

O=C(Cn1cnc2ccccc21)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.81
HTT P42858 2/20 0.67
LMNA P02545 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
PKM P14618 1/20 0.59
NPC1 O15118 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MGLL Q99685 1/20 0.54
TP53 P04637 4/20 0.53
MAPT P10636 4/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 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; SMN2HTTLMNAL3MBTL1PKM
SCHEMBL3032012 0.84 SMN1; SMN2 (0.81) SMN1; SMN2HTTLMNAL3MBTL1PKM
SCHEMBL27645591 0.82 SMN1; SMN2 (0.78) SMN1; SMN2HTTLMNAL3MBTL1PKM
SCHEMBL1037979 0.80 SMN1; SMN2 (0.64) SMN1; SMN2HTTLMNAL3MBTL1PKM
SCHEMBL1035306 0.80 SMN1; SMN2 (0.64) SMN1; SMN2HTTLMNAL3MBTL1PKM
SCHEMBL1036943 0.80 MGLL (0.62) SMN1; SMN2HTTLMNAL3MBTL1PKM
SCHEMBL2827621 0.79 ABL1 (0.57) SMN1; SMN2NPC1MGLLMAPTCYP3A4
SCHEMBL1036975 0.78 SMN1; SMN2 (0.68) SMN1; SMN2HTTLMNAL3MBTL1PKM
SCHEMBL1038642 0.78 MGLL (0.70) SMN1; SMN2HTTLMNAL3MBTL1PKM
SCHEMBL13489998 0.78 SMN1; SMN2 (0.71) SMN1; SMN2HTTLMNAL3MBTL1PKM

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 2297/4885HTT 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.