SCHEMBL4398210

SCHEMBL4398210

CN(C)c1cccc(NC(=O)N(CCCN2CCC(O)CC2)Cc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.51
HDAC1 Q13547 5/20 0.51
KDM1A O60341 1/20 0.42
TSHR P16473 1/20 0.41
CASR P41180 4/20 0.40
UBE2M P61081 6/20 0.39
DCUN1D1 Q96GG9 6/20 0.39
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
SUCNR1 Q9BXA5 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
SCHEMBL3834413 0.92 KDM1A (0.43) HDAC6HDAC1KDM1AHDAC3HDAC2
SCHEMBL2497298 0.91 HDAC1 (0.52) HDAC6HDAC1TSHRCASR
SCHEMBL3835249 0.88 KDM1A (0.46) HDAC6HDAC1KDM1ATSHRUBE2M
SCHEMBL2500433 0.86 KDM1A (0.43) HDAC6HDAC1KDM1AHDAC3HDAC2
SCHEMBL3834058 0.86 KDM1A (0.41) KDM1ATSHRUBE2MDCUN1D1
SCHEMBL3831043 0.85 UBE2M (0.48) HDAC6HDAC1KDM1ATSHRUBE2M
SCHEMBL3831177 0.85 KDM1A (0.44) HDAC6HDAC1KDM1AHDAC3HDAC2
SCHEMBL3835450 0.84 TNF (0.45) HDAC6HDAC1KDM1ACASRHDAC3
SCHEMBL4401717 0.84 KDM1A (0.43) HDAC6HDAC1KDM1ATSHRUBE2M
SCHEMBL3836032 0.83 OPRM1 (0.49) TSHR

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 HDAC6 363/4885HDAC1 200/4885KDM1A 1117/4885

“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.