SCHEMBL3043306

SCHEMBL3043306

CC(C(=O)Nc1cccc(C(F)(F)F)c1)n1cnc2cccc([N+](=O)[O-])c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRIK1 P39086 1/20 0.44
AURKA O14965 1/20 0.44
KDR P35968 1/20 0.44
AURKB Q96GD4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CES2 O00748 1/20 0.43
ABCB11 O95342 1/20 0.43
GLA P06280 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CHRM1 P11229 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL3038555 0.81 KDR (0.60) AURKAKDRAURKBSMN1; SMN2LMNA
SCHEMBL3036275 0.81 KMT2A (0.45) MAPK1L3MBTL1SMN1; SMN2LMNAALDH1A1
SCHEMBL3037886 0.79 RXFP1 (0.57) L3MBTL1AURKAKDRAURKBSMN1; SMN2
SCHEMBL3038552 0.76 FGFR1 (0.54) L3MBTL1SMN1; SMN2ALDH1A1CYP1A2TSHR
SCHEMBL18175070 0.74 BRAF (0.50) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL10114284 0.74 RXFP1 (0.66) L3MBTL1SMN1; SMN2HTTMAPT
SCHEMBL4462954 0.73 FGFR1 (0.42) L3MBTL1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL6012151 0.73 KDR (0.42) MAPK1L3MBTL1GRIK1AURKAKDR
SCHEMBL4455947 0.72 HTT (0.38) MAPK1KDRSMN1; SMN2LMNAALDH1A1
SCHEMBL4972866 0.70 SMN1; SMN2 (0.45) MAPK1L3MBTL1SMN1; SMN2LMNAALDH1A1

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 MAPK1 3431/4885L3MBTL1 1610/4885GRIK1 3859/4885

“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.