SCHEMBL3029119

SCHEMBL3029119

COc1c(F)cccc1NC(=O)Cn1cnc2cccc([N+](=O)[O-])c21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
GUSB P08236 1/20 0.40

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
SCHEMBL3045466 0.82 MAPT (0.54) SMN1; SMN2MEN1KMT2AHPGDPOLB
SCHEMBL3039180 0.81 POLB (0.52) SMN1; SMN2POLBALDH1A1L3MBTL1PKM
SCHEMBL3038427 0.81 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL3037971 0.80 PKM (0.45) SMN1; SMN2MEN1KMT2AHPGDPOLB
SCHEMBL3035307 0.80 L3MBTL1 (0.47) SMN1; SMN2MEN1KMT2AHPGDPOLB
SCHEMBL3039696 0.80 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL4974430 0.79 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3035759 0.79 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4456795 0.79 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL3043785 0.79 GAA (0.47) SMN1; SMN2MEN1KMT2AHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US claimed
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 2297/4885MEN1 1947/4885KMT2A 2653/4885

“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.