SCHEMBL585317

SCHEMBL585317

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MAPT P10636 6/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 4/20 0.38
BRD4 O60885 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
PKM P14618 4/20 0.37
POLB P06746 2/20 0.37
ALDH3A1 P30838 2/20 0.37
MAPK1 P28482 1/20 0.36
OPRM1 P35372 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL584294 0.83 CNR2 (0.48) CNR1CNR2MAPTALDH1A1HTT
SCHEMBL584707 0.82 HTT (0.55) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL3915802 0.81 MAPT (0.43) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL3915803 0.81 MAPT (0.43) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL1700499 0.81 MAPT (0.53) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL10048482 0.80 MAPT (0.44) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL584385 0.78 CNR2 (0.48) CNR1CNR2MAPTALDH1A1HTT
SCHEMBL13804940 0.76 CNR1 (0.42) CNR1CNR2MAPTALDH1A1BRD4
SCHEMBL3759649 0.76 KMT2A (0.52) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4966167 0.75 MAPT (0.44) MAPTALDH1A1HTTSMN1; SMN2MEN1

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
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2009-09-03 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
US-7550495-B2 Compounds, compositions containing them, preparation thereof and uses thereof I ASTRAZENECA AB (SE) 2009-06-23 US disclosed
US-7550495-B2 Compounds, compositions containing them, preparation thereof and uses thereof I ASTRAZENECA AB (SE) 2009-06-23 US disclosed
US-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2006-11-23 US 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 (2 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 CNR1 54/4885CNR2 83/4885MAPT 2921/4885
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R CNR1 54/4885CNR2 83/4885MAPT 2921/4885

“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.