SCHEMBL5409203

SCHEMBL5409203

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.50
CYP1A2 P05177 2/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
PDPK1 O15530 1/20 0.39
ALOX15 P16050 1/20 0.39
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 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
SCHEMBL5403418 0.88 CHRNB2 (0.47) HPGDCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4930717 0.87 ALDH1A1 (0.48) HPGDCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL5404255 0.87 L3MBTL1 (0.47) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL5409616 0.87 PLAAT3 (0.53) HPGDPOLBMAPTMEN1KMT2A
SCHEMBL5409628 0.85 HPGD (0.44) HPGDMEN1KMT2AALDH1A1TDP1
SCHEMBL5403410 0.84 MEN1 (0.48) HPGDMEN1KMT2ATDP1PLAAT3
SCHEMBL5400904 0.84 HTT (0.45) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL5395356 0.84 KMT2A (0.44) HPGDCYP1A2CYP2C19MAPTMEN1
SCHEMBL5397846 0.84 MEN1 (0.43) HPGDMEN1KMT2AALDH1A1TDP1
SCHEMBL5399392 0.84 ALDH1A1 (0.45) HPGDPOLBMEN1KMT2AALDH1A1

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 1078/4885CYP1A2 2649/4885POLB 527/4885

“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.