SCHEMBL3034933

SCHEMBL3034933

CC(C#N)n1cnc2cccc([N+](=O)[O-])c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.52
POLB P06746 1/20 0.39
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
LCK P06239 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
HCAR1 Q9BXC0 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL3038552 0.80 FGFR1 (0.54) FGFR1POLBALDH1A1GAATDP1
SCHEMBL29346035 0.75 FGFR1 (0.61) FGFR1POLBALDH1A1GAATDP1
SCHEMBL13515732 0.75 MEN1 (0.34) MEN1KMT2ATSHRHPGD
SCHEMBL3039454 0.72 FGFR1 (0.55) FGFR1POLBALDH1A1GAATXNRD1
SCHEMBL15804013 0.71 GAA (0.40) ALDH1A1GAATDP1SMN1; SMN2HTT
SCHEMBL6117596 0.71 FGFR1 (0.57) FGFR1POLBALDH1A1GAATDP1
SCHEMBL4462954 0.71 FGFR1 (0.42) FGFR1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL18762216 0.69 TDP1 (0.41) FGFR1ALDH1A1TDP1SMN1; SMN2HCAR1
SCHEMBL14283222 0.68 FGFR1 (0.52) FGFR1POLBALDH1A1GAALCK
SCHEMBL4976405 0.68 FGFR1 (0.52) FGFR1POLBALDH1A1GAATDP1

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 16 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
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-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
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 FGFR1 1577/4885POLB 746/4885ALDH1A1 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.