SCHEMBL5409113

SCHEMBL5409113

O=C(O)CCN(Cc1cccnc1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
USP2 O75604 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
HCRTR1 O43613 1/20 0.44
APEX1 P27695 1/20 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
SCHEMBL5405946 0.92 HTT (0.52) HTTKMT2ANPC1USP2ALDH1A1
SCHEMBL5418625 0.91 HTT (0.54) HTTKMT2AUSP2ALDH1A1LMNA
SCHEMBL5402574 0.91 APEX1 (0.49) HTTKMT2ANPC1ALDH1A1LMNA
SCHEMBL5399604 0.89 KMT2A (0.53) HTTKMT2AUSP2ALDH1A1LMNA
SCHEMBL5409425 0.89 PKM (0.59) HTTKMT2AUSP2ALDH1A1LMNA
SCHEMBL5418601 0.89 HTT (0.64) HTTKMT2AUSP2ALDH1A1LMNA
SCHEMBL5403055 0.88 KMT2A (0.57) HTTKMT2AUSP2ALDH1A1LMNA
SCHEMBL5400566 0.87 RAB9A (0.60) HTTKMT2AUSP2ALDH1A1LMNA
SCHEMBL5398601 0.86 KMT2A (0.51) HTTKMT2AUSP2ALDH1A1GAA
SCHEMBL5404066 0.86 KMT2A (0.53) HTTKMT2AUSP2ALDH1A1LMNA

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-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB HTT 3791/4885KMT2A 2451/4885NPC1 740/4885

“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.