SCHEMBL4401245

SCHEMBL4401245

Nc1ccccc1NC(=O)c1ccc(C(CCCN2CCOCC2)NC(=O)Nc2nc3c(s2)CCCC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.45
HDAC3 O15379 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
GFER P55789 2/20 0.42
CLK1 P49759 1/20 0.42
PIK3CA P42336 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2477333 0.88 HCAR1 (0.39) NPC1RAB9AGFERCLK1ALDH1A1
SCHEMBL3829026 0.83 CYP2D6 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2476882 0.81 HDAC3 (0.51) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2472966 0.81 HDAC1 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4401243 0.81 HDAC1 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2474116 0.81 HDAC1 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2473466 0.80 HDAC1 (0.61) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3832733 0.79 EPHX2 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4391421 0.79 HDAC1 (0.46) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2478730 0.78 HDAC1 (0.49) 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 HDAC1 200/4885HDAC3 795/4885HDAC4 532/4885

“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.