SCHEMBL7860945

SCHEMBL7860945

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)Nc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.47
NPY4R P50391 10/20 0.47
NPY1R P25929 6/20 0.47
NPY2R P49146 4/20 0.47
NPY5R Q15761 4/20 0.47
KDM4E B2RXH2 1/20 0.46
GSK3B P49841 1/20 0.46
MC4R P32245 1/20 0.45
MC5R P33032 1/20 0.45
MC3R P41968 1/20 0.45
MC1R Q01726 1/20 0.45
KISS1R Q969F8 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
ALDH1A1 P00352 1/20 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
SCHEMBL7918402 1.00 MEN1 (0.51) MEN1KMT2AHSD17B10NPY4RNPY1R
SCHEMBL7860939 1.00 MEN1 (0.51) MEN1KMT2AHSD17B10NPY4RNPY1R
SCHEMBL26108204 0.92 MEN1 (0.53) MEN1KMT2AHSD17B10NPY4RNPY1R
Dl-Phenylalanine SCHEMBL26965744 0.86 MEN1 (0.50) MEN1KMT2AHSD17B10NPY4RNPY1R
SCHEMBL15921797 0.85 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL290268 0.84 NPC1 (0.50) MEN1KMT2AHSD17B10KDM4EGSK3B
SCHEMBL290267 0.84 NPC1 (0.50) MEN1KMT2AHSD17B10KDM4EGSK3B
SCHEMBL28896050 0.84 MC4R (0.60) MEN1KMT2AHSD17B10KDM4EGSK3B
Pabetan SCHEMBL4546522 0.84 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RKISS1R
Pabetan SCHEMBL21571465 0.84 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RKISS1R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160257651-A1 NOVEL COMPOUND WITH ANTIBACTERIAL ACTIVITY JUNTENDO EDUCATIONAL FOUNDATION (JP) 2016-09-08 US disclosed
US-6251869-B1 SUCH AS L-PHENYLALANYL-L-ARGINYL-BETA-NAPHTHYLAMIDE; FOR TREATING GRAM-NEGATIVE ORGANISMS INFECTIONS IN MAMMALS PHARMACIA & UPJOHN COMPANY 2001-06-26 US disclosed
EP-1077718-A1 ENHANCEMENT OF OXAZOLIDINONE ANTIBACTERIAL AGENTS ACTIVITY BY ARGININE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2001-02-28 EP disclosed
WO-1999059616-A1 ENHANCEMENT OF OXAZOLIDINONE ANTIBACTERIAL AGENTS ACTIVITY BY USING ARGININE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 1999-11-25 WO 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-20160257651-A1 NOVEL COMPOUND WITH ANTIBACTERIAL ACTIVITY SLC11A2, RELA, NFKBIA MEN1 2421/4885KMT2A 3702/4885HSD17B10 2044/4885

“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.