SCHEMBL3835728

SCHEMBL3835728

CN1CCN(CCN(Cc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)C(=O)NC2=COC=C(C3=CC=CCC3)O2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
SUCNR1 Q9BXA5 2/20 0.34
DRD2 P14416 1/20 0.34
HDAC1 Q13547 5/20 0.33
HDAC3 O15379 2/20 0.33
HDAC2 Q92769 2/20 0.33
CASR P41180 1/20 0.33
MAPK14 Q16539 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 3/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL4398251 0.96 KDM1A (0.38) KDM1ASUCNR1DRD2HDAC1HDAC3
SCHEMBL3830690 0.94 CASR (0.39) KDM1ACASRMEN1KMT2AMAPK1
SCHEMBL3226053 0.92 ABL1 (0.32) KDM1ASUCNR1DRD2CASRMEN1
SCHEMBL3835556 0.92 KDM1A (0.39) KDM1ASUCNR1DRD2HDAC1HDAC3
SCHEMBL4392925 0.91 TSHR (0.39) KDM1ACASRHSD17B10ALDH1A1HPGD
SCHEMBL3835046 0.89 KDM1A (0.38) KDM1ASUCNR1DRD2HDAC1HDAC3
SCHEMBL3834059 0.89 KDM1A (0.38) KDM1ASUCNR1DRD2HDAC1HDAC3
SCHEMBL3829607 0.89 HDAC1 (0.38) KDM1AHDAC1HDAC3HDAC2NCOR2
SCHEMBL2474441 0.89 HDAC1 (0.40) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL3232056 0.88 TSHR (0.34) KDM1ASUCNR1DRD2CASRMEN1

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 3 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
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 KDM1A 1117/4885SUCNR1 2011/4885DRD2 2904/4885

“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.