SCHEMBL4391387

SCHEMBL4391387

CN(C)c1cccc(NC(=O)NC(CCCN2CCOCC2)c2ccc(C(=O)Nc3ccccc3N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.52
HDAC1 Q13547 9/20 0.50
CASR P41180 2/20 0.49
HDAC3 O15379 3/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PIK3CA P42336 2/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL4390020 0.92 PIK3CA (0.48) EPHX2HDAC1HDAC3HDAC4HDAC7
SCHEMBL2477122 0.88 HDAC1 (0.56) EPHX2HDAC1CASRHDAC3PIK3CA
SCHEMBL4394265 0.87 HDAC3 (0.49) EPHX2HDAC1HDAC3HDAC4HDAC7
SCHEMBL2476882 0.86 HDAC3 (0.51) EPHX2HDAC1HDAC3HDAC4HDAC7
SCHEMBL2473979 0.86 HDAC1 (0.47) EPHX2HDAC1HDAC3HDAC4HDAC7
SCHEMBL2473928 0.86 HDAC1 (0.47) EPHX2HDAC1HDAC3HDAC4HDAC7
SCHEMBL4392742 0.85 HDAC1 (0.56) EPHX2HDAC1HDAC3HDAC4HDAC7
SCHEMBL4396311 0.85 HDAC1 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2478730 0.85 HDAC1 (0.49) EPHX2HDAC1CASRHDAC3HDAC4
SCHEMBL4391455 0.84 HDAC1 (0.46) HDAC1HDAC3HDAC4HDAC7HDAC2

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-8076332-B2 N- (2-aminophenyl) benzamide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-12-13 US disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 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-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE UACA, SLC14A1, ARG2 EPHX2 3775/4885HDAC1 200/4885CASR 3264/4885

“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.