SCHEMBL5405983

SCHEMBL5405983

COc1ccccc1CNC(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.55
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 2/20 0.51
RCE1 Q9Y256 1/20 0.51
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
HTT P42858 3/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 2/20 0.45
MAPT P10636 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
SCHEMBL5398957 0.95 HPGD (0.56) HPGDALDH1A1KDM4ERCE1KMT2A
SCHEMBL5405730 0.94 TAS1R3 (0.52) HPGDALDH1A1KDM4ERCE1KMT2A
SCHEMBL5392523 0.94 HPGD (0.54) HPGDALDH1A1KDM4ERCE1KMT2A
SCHEMBL5397621 0.94 HPGD (0.57) HPGDALDH1A1KDM4ERCE1KMT2A
SCHEMBL5403468 0.94 POLB (0.52) HPGDALDH1A1KDM4ERCE1KMT2A
SCHEMBL5400656 0.92 RAB9A (0.56) HPGDALDH1A1KDM4ERCE1KMT2A
SCHEMBL5398706 0.92 POLB (0.53) HPGDALDH1A1KDM4ERCE1KMT2A
SCHEMBL5403820 0.92 TAS1R3 (0.51) HPGDALDH1A1KDM4ERCE1KMT2A
SCHEMBL5416870 0.91 HPGD (0.54) HPGDALDH1A1KDM4ERCE1KMT2A
SCHEMBL5392440 0.91 KCNK3 (0.52) HPGDALDH1A1KDM4ERCE1KMT2A

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 1078/4885ALDH1A1 1256/4885KDM4E 4680/4885

“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.