SCHEMBL5400904

SCHEMBL5400904

Cc1ccccc1CNC(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
HPGD P15428 4/20 0.45
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
SCN10A Q9Y5Y9 2/20 0.41
PPARG P37231 1/20 0.41
SCN2A Q99250 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
P2RX7 Q99572 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38

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
SCHEMBL5404255 0.92 L3MBTL1 (0.47) HPGDALDH1A1KDM4ESCN10ASCN2A
SCHEMBL5403410 0.89 MEN1 (0.48) HPGDMEN1KMT2ATDP1TSHR
SCHEMBL5403418 0.89 CHRNB2 (0.47) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL5402870 0.89 TAS1R3 (0.48) HTTHPGDALDH1A1KDM4EPPARG
SCHEMBL5394637 0.89 HPGD (0.54) HTTHPGDALDH1A1KDM4EPPARG
SCHEMBL5399392 0.89 ALDH1A1 (0.45) HPGDALDH1A1KDM4ELMNAMEN1
SCHEMBL4930717 0.88 ALDH1A1 (0.48) HTTHPGDALDH1A1PPARGLMNA
SCHEMBL5394200 0.88 L3MBTL1 (0.48) HTTHPGDALDH1A1KDM4EPPARG
SCHEMBL5416612 0.88 CHRNB2 (0.54) HPGDALDH1A1PPARGLMNAMEN1
SCHEMBL5392441 0.87 HPGD (0.45) HPGDALDH1A1KDM4EPPARGLMNA

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 3791/4885HPGD 1078/4885ALDH1A1 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.