SCHEMBL3915802

SCHEMBL3915802

O=C(O)Nc1ccc(NCC2CCC(F)(F)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HCAR3 P49019 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.42
ATM Q13315 1/20 0.39

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
SCHEMBL3915803 1.00 MAPT (0.43) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL584707 0.90 HTT (0.55) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL10048482 0.89 MAPT (0.44) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL3928131 0.86 MAPT (0.51) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL3928138 0.86 MAPT (0.51) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL3922767 0.85 HCAR3 (0.50) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL3922764 0.85 HCAR3 (0.50) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL3923613 0.82 PTGER4 (0.47) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL585317 0.81 CNR1 (0.45) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL10048007 0.80 HTT (0.42) MAPTMAPK1KMT2AALDH1A1MEN1

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
US-8633235-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof NEOMED INSTITUTE (CA) 2014-01-21 US disclosed
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-7550495-B2 Compounds, compositions containing them, preparation thereof and uses thereof I ASTRAZENECA AB (SE) 2009-06-23 US disclosed
EP-1670769-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2009-04-29 EP disclosed
EP-1797078-A4 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF III ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
EP-1797077-A4 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-08-28 US disclosed
EP-1797076-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2007-06-20 EP disclosed
EP-1797077-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I AstraZeneca AB (SE) 2007-06-20 EP disclosed
EP-1797078-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF III AstraZeneca AB (SE) 2007-06-20 EP disclosed
US-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1670769-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-21 EP disclosed
WO-2006033631-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2006-03-30 WO disclosed
WO-2006033630-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF III ASTRAZENECA AB (SE) 2006-03-30 WO disclosed
WO-2006033628-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2006-03-30 WO disclosed
WO-2005030732-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 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 (3 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-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R MAPT 2921/4885MAPK1 4015/4885KMT2A 3673/4885
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R MAPT 2921/4885MAPK1 4015/4885KMT2A 3673/4885
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof CYP3A4, CYP2C19, H1-3 MAPT 3678/4885MAPK1 4037/4885KMT2A 1941/4885

“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.