SCHEMBL2472846

SCHEMBL2472846

Nc1ccccc1NC(=O)c1ccc(CN(CCCO)C(=O)Nc2ccc3c(c2)CCC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.50
HDAC2 Q92769 8/20 0.50
HDAC6 Q9UBN7 7/20 0.50
HDAC3 O15379 7/20 0.50
HDAC4 P56524 5/20 0.50
HDAC7 Q8WUI4 5/20 0.50
HDAC8 Q9BY41 5/20 0.50
HDAC9 Q9UKV0 5/20 0.50
HDAC5 Q9UQL6 5/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NCOR2 Q9Y618 2/20 0.46
HDAC10 Q969S8 2/20 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
SCHEMBL2500894 0.95 HDAC1 (0.53) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL3835566 0.92 SMN1; SMN2 (0.49) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL3836379 0.91 HDAC1 (0.50) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL3829651 0.90 HDAC1 (0.47) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL2474631 0.90 HDAC1 (0.50) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL3835487 0.89 HDAC1 (0.47) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL3835948 0.89 HDAC1 (0.54) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL3834609 0.88 KMT2A (0.49) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL3832635 0.86 MAPT (0.51) HDAC1TP53GAAHTTALDH1A1
SCHEMBL13591364 0.86 NPC1 (0.41) HDAC1HDAC2HDAC6HDAC3HDAC4

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 9 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-8076332-B2 N- (2-aminophenyl) benzamide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-12-13 US disclosed
US-8076332-B2 N- (2-aminophenyl) benzamide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-12-13 US disclosed
EP-2107052-B1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2011-10-12 EP disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-2107052-A1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-10-07 EP disclosed
EP-2107052-A1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-10-07 EP 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 200/4885HDAC2 129/4885HDAC6 363/4885

“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.