SCHEMBL4462528

SCHEMBL4462528

NC(=O)CC(C(N)=O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
DPP9 Q86TI2 1/20 0.39
GABBR2 O75899 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
SCHEMBL15434306 0.82 EPHX1 (0.43) EPHX1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15434362 0.82 EPHX1 (0.43) EPHX1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11073404 0.81 EPHX1 (0.40) EPHX1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5910306 0.81 KCNQ2 (0.44) EPHX1HTTMMP9MMP8MMP13
SCHEMBL30699923 0.81 CYP2C19 (0.51) EPHX1GAAHTTLMNAMMP9
SCHEMBL4452221 0.81 CYP2C9 (0.49) EPHX1GAAHTTLMNAGABBR2
SCHEMBL3353282 0.80 EPHX1 (0.63) EPHX1GAAHTTLMNAMMP9
SCHEMBL4918761 0.80 CYP2C19 (0.47) EPHX1GAAHTTLMNA
SCHEMBL11085363 0.80 GABBR2 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7908772 0.79 EPHX1 (0.41) EPHX1HTTHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS CONSEJO SUPERIOR DE (ES) 2009-12-03 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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS BAX, BCL2, CASP3 EPHX1 3198/4885GAA 482/4885HTT 3489/4885

“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.