SCHEMBL5400960

SCHEMBL5400960

O=C(O)CCN(Cc1ccc(F)cc1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.51
ALDH1A1 P00352 6/20 0.48
MAPK1 P28482 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.47
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NAMPT P43490 1/20 0.46
HDAC1 Q13547 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 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
SCHEMBL5392490 0.96 KMT2A (0.54) HTTKMT2AUSP2GAAALDH1A1
SCHEMBL5418601 0.94 HTT (0.64) HTTKMT2AUSP2GAAALDH1A1
SCHEMBL5398638 0.90 KMT2A (0.54) HTTKMT2AALDH1A1HPGDMAPT
SCHEMBL5399681 0.90 KMT2A (0.54) HTTKMT2AALDH1A1HPGDMAPT
SCHEMBL5404066 0.90 KMT2A (0.53) HTTKMT2AUSP2ALDH1A1MAPK1
SCHEMBL5418524 0.90 KMT2A (0.53) HTTKMT2AUSP2GAAALDH1A1
SCHEMBL5402865 0.89 KMT2A (0.55) HTTKMT2AALDH1A1HPGDMAPT
SCHEMBL5409425 0.89 PKM (0.59) HTTKMT2AUSP2ALDH1A1MAPK1
SCHEMBL5402909 0.88 KMT2A (0.54) HTTKMT2AUSP2GAAALDH1A1
SCHEMBL5403055 0.88 KMT2A (0.57) HTTKMT2AUSP2ALDH1A1MAPK1

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 2451/4885USP2 2844/4885

“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.