SCHEMBL3759649

SCHEMBL3759649

COC(=O)c1ccc(NCC2CCC(F)(F)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 2/20 0.48
PTGER4 P35408 1/20 0.48
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
LMNA P02545 1/20 0.47
HCAR3 P49019 4/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.46
VCAM1 P19320 1/20 0.45

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
SCHEMBL4280959 0.90 KMT2A (0.56) KMT2AMAPTALDH1A1RAB9APTGER4
SCHEMBL3762305 0.87 HPGD (0.58) KMT2AMAPTALDH1A1RAB9APTGER4
SCHEMBL4000202 0.86 HCAR3 (0.54) KMT2AMAPTALDH1A1RAB9APTGER4
SCHEMBL10048482 0.83 MAPT (0.44) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL3765728 0.82 PTGER4 (0.64) MAPTALDH1A1RAB9APTGER4NPC1
SCHEMBL8034115 0.82 HCAR3 (0.53) KMT2AMAPTALDH1A1RAB9APTGER4
SCHEMBL584707 0.81 HTT (0.55) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL15774461 0.80 MAPT (0.71) KMT2AMAPTALDH1A1RAB9APTGER4
SCHEMBL3915802 0.80 MAPT (0.43) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL3915803 0.80 MAPT (0.43) KMT2AMAPTALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305140-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2010-12-02 US disclosed
US-20100305140-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2010-12-02 US disclosed
US-20100305140-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2010-12-02 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
EP-2035409-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANATGONIST FOR THE CB1-RECEPTOR AstraZeneca AB (SE) 2009-03-18 EP disclosed
WO-2007145563-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
WO-2007145563-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
EP-1636193-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004108688-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-12-16 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 (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-20100305140-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR CNR1, CNR2, CCKAR KMT2A 1825/4885MAPT 4180/4885ALDH1A1 1779/4885
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof BTF3, TYMS, F3 KMT2A 2858/4885MAPT 2820/4885ALDH1A1 1603/4885

“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.