SCHEMBL4394265

SCHEMBL4394265

CN(C)c1ccc(NC(=O)NC(CCN2CCOCC2)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.49
PIK3CA P42336 4/20 0.49
HDAC1 Q13547 11/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
EPHX2 P34913 1/20 0.45
BTK Q06187 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
SCHEMBL4390020 0.95 PIK3CA (0.48) HDAC3PIK3CAHDAC1HDAC2HDAC4
SCHEMBL4391455 0.88 HDAC1 (0.46) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4391387 0.87 EPHX2 (0.52) HDAC3PIK3CAHDAC1HDAC2HDAC4
SCHEMBL2476882 0.86 HDAC3 (0.51) HDAC3PIK3CAHDAC1HDAC2HDAC4
SCHEMBL3834514 0.85 HDAC1 (0.51) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL2478730 0.85 HDAC1 (0.49) HDAC3PIK3CAHDAC1HDAC2HDAC4
SCHEMBL2473466 0.85 HDAC1 (0.61) HDAC3PIK3CAHDAC1HDAC2HDAC4
SCHEMBL2471332 0.84 HDAC1 (0.50) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL3834328 0.84 HDAC1 (0.52) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL2480482 0.84 UTS2R (0.55) HDAC3HDAC1HDAC2

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 HDAC3 795/4885PIK3CA 4533/4885HDAC1 200/4885

“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.