SCHEMBL5405908

SCHEMBL5405908

COc1ccccc1CNC(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 3/20 0.46
RCE1 Q9Y256 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 3/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 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
SCHEMBL5399126 0.93 HPGD (0.48) HPGDSMN1; SMN2ALDH1A1KDM4ERCE1
SCHEMBL5397621 0.89 HPGD (0.57) HPGDALDH1A1KDM4ERCE1KMT2A
SCHEMBL5405942 0.89 HPGD (0.46) HPGDSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL5414038 0.88 POLB (0.51) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL5405983 0.87 HPGD (0.55) HPGDALDH1A1KDM4ERCE1KMT2A
SCHEMBL5409198 0.87 HPGD (0.51) HPGDSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL5409493 0.86 L3MBTL1 (0.46) HPGDSMN1; SMN2ALDH1A1KDM4ERCE1
SCHEMBL5402948 0.86 HPGD (0.51) HPGDSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL5409254 0.86 RAB9A (0.52) HPGDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL5409179 0.86 MEN1 (0.50) HPGDSMN1; SMN2ALDH1A1KDM4EKMT2A

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 HPGD 1078/4885SMN1; SMN2 57/4885ALDH1A1 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.