SCHEMBL4393064

SCHEMBL4393064

O=C(NCc1ccccc1C(F)(F)F)NCC1CCC(CNC(=O)c2ccc(Cl)nc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
HDAC6 Q9UBN7 2/20 0.45
ROCK2 O75116 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
GABRA5 P31644 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ROCK1 Q13464 1/20 0.42
EPHX1 P07099 1/20 0.42
RORC P51449 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL4009571 0.87 NPC1 (0.51) EPHX2L3MBTL1HDAC6ROCK2HDAC3
SCHEMBL4005067 0.84 EPHX2 (0.49) EPHX2ROCK2EPHX1
SCHEMBL4003460 0.84 EPHX2 (0.55) EPHX2HDAC6EPHX1PPARG
SCHEMBL4007129 0.83 L3MBTL1 (0.53) L3MBTL1HDAC6GABRA5NPC1RAB9A
SCHEMBL3409240 0.80 L3MBTL1 (0.57) L3MBTL1HDAC6GABRA5NPC1RAB9A
SCHEMBL4002329 0.80 EPHX2 (0.51) EPHX2EPHX1PPARG
SCHEMBL4008158 0.79 L3MBTL1 (0.54) L3MBTL1GABRA5NPC1RAB9ASMN1; SMN2
SCHEMBL4014409 0.78 EPHX2 (0.49) EPHX2HDAC6EPHX1PPARG
SCHEMBL4013383 0.78 CHRM1 (0.47) EPHX2NPC1RAB9A
SCHEMBL4008439 0.78 EPHX2 (0.46) EPHX2

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 2 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
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

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 911/4885L3MBTL1 2621/4885HDAC6 317/4885

“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.