SCHEMBL5409151

SCHEMBL5409151

O=C(O)CCN(CCc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 5/20 0.58
USP2 O75604 1/20 0.57
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL5412154 0.98 HTT (0.62) HTTKMT2AALDH1A1USP2HPGD
SCHEMBL5398698 0.97 HTT (0.59) HTTKMT2AALDH1A1USP2HPGD
SCHEMBL5408552 0.96 HTT (0.59) HTTKMT2AALDH1A1USP2HPGD
SCHEMBL5401135 0.95 HTT (0.61) HTTKMT2AALDH1A1USP2HPGD
SCHEMBL5400602 0.94 KMT2A (0.56) HTTKMT2AALDH1A1USP2HPGD
SCHEMBL5412112 0.92 KCNK3 (0.55) HTTKMT2AALDH1A1USP2HPGD
SCHEMBL5400679 0.91 CA2 (0.54) HTTKMT2AALDH1A1USP2HPGD
SCHEMBL5400882 0.91 KMT2A (0.51) HTTKMT2AALDH1A1USP2MEN1
SCHEMBL5418601 0.91 HTT (0.64) HTTKMT2AALDH1A1USP2HPGD
SCHEMBL5405180 0.91 HTT (0.53) HTTKMT2AALDH1A1USP2HPGD

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 2451/4885ALDH1A1 1256/4885

“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.