SCHEMBL4002329

SCHEMBL4002329

O=C(NCc1ccccc1C(F)(F)F)NCC1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.51
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.45
PPARG P37231 4/20 0.45
EPHX1 P07099 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 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
SCHEMBL4003460 0.87 EPHX2 (0.55) EPHX2PPARGEPHX1TAOK1TAOK3
SCHEMBL4393064 0.80 EPHX2 (0.50) EPHX2PPARGEPHX1
SCHEMBL5118138 0.79 POLB (0.61) ALDH1A1POLBMAPTHTTMEN1
SCHEMBL4005067 0.79 EPHX2 (0.49) EPHX2ALDH1A1EPHX1
SCHEMBL4014409 0.79 EPHX2 (0.49) EPHX2ALDH1A1PPARGEPHX1MAPT
SCHEMBL4008439 0.79 EPHX2 (0.46) EPHX2ALDH1A1KMT2A
SCHEMBL4007421 0.77 EPHX2 (0.51) EPHX2PPARGEPHX1
SCHEMBL4013383 0.75 CHRM1 (0.47) EPHX2
SCHEMBL5946839 0.73 POLB (0.72) ALDH1A1POLBMAPTHTTMEN1
SCHEMBL7373448 0.72 RORC (0.66) ALDH1A1POLBLMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US claimed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO claimed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 EPHX2 911/4885ALDH1A1 169/4885GAA 288/4885

“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.