SCHEMBL3034787

SCHEMBL3034787

CC(Br)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
TP53 P04637 2/20 0.60
CYP1A2 P05177 1/20 0.60
POLB P06746 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
MAPT P10636 4/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
LMNA P02545 3/20 0.55
GAA P10253 2/20 0.55
XBP1 P17861 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL6012006 0.96 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL31093984 0.88 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5561958 0.88 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL963688 0.86 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL28733093 0.86 MAPT (0.60) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5133570 0.86 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL23733551 0.85 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19638131 0.85 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL967252 0.85 ALDH1A1 (0.61) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL12251335 0.85 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101328150-A New benzimidazole derivatives ASTRAZENECA AB (SE) 2008-12-24 CN disclosed
CN-100413849-C Benzimidazole derivatives ASTRAZENECA AB (SE) 2008-08-27 CN 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 2297/4885KDM4E 2187/4885ALDH1A1 668/4885

“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.