SCHEMBL4398243

SCHEMBL4398243

CN(C)CCCC(N)c1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 5/20 0.55
HPGD P15428 3/20 0.55
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 3/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
EGFR P00533 2/20 0.43
UTS2R Q9UKP6 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KAT2B Q92831 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42

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
Benzyl Benzoate SCHEMBL10588767 0.76 TDP1 (0.62) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL5853140 0.75 KMT2A (0.65) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL15614364 0.75 KMT2A (0.69) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL4398241 0.75 CCR6 (0.60) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL23870443 0.75 ALDH1A1 (0.45) ALDH1A1MAPTHPGD
SCHEMBL19397758 0.74 ALDH1A1 (0.59) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL20932823 0.74 KMT2A (0.63) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL312287 0.74 KMT2A (0.92) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL9837067 0.74 ALDH1A1 (0.70) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL9329147 0.74 KMT2A (0.67) ALDH1A1MAPTHPGDKMT2ATDP1

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 ALDH1A1 1040/4885MAPT 1576/4885HPGD 1776/4885

“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.