SCHEMBL5399641

SCHEMBL5399641

Cc1cccc(CNC(=O)c2ccccc2-c2ccccc2C(=O)N(CCC(=O)O)CCc2ccccc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MMP13 P45452 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5409890 0.92 CHRNB2 (0.48) HPGDALDH1A1KDM4ERAB9AHTT
SCHEMBL5403753 0.91 ALDH1A1 (0.53) HPGDALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL5398810 0.91 MEN1 (0.46) HPGDALDH1A1RAB9AHTTCHRNB2
SCHEMBL5403184 0.91 RAB9A (0.43) HPGDALDH1A1RAB9AHTTCHRNB2
SCHEMBL5401143 0.90 ALDH1A1 (0.53) HPGDALDH1A1KDM4EHSD17B10HTT
SCHEMBL5403444 0.89 RAB9A (0.61) HPGDALDH1A1KDM4ERAB9AMEN1
SCHEMBL5399767 0.89 RAB9A (0.48) HPGDALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL5413978 0.89 ALDH1A1 (0.50) HPGDALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL5402281 0.89 HPGD (0.52) HPGDALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL5394637 0.88 HPGD (0.54) HPGDALDH1A1KDM4EHTTCHRNB2

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.