SCHEMBL5408418

SCHEMBL5408418

O=C(O)CCN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 3/20 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
KCNA5 P22460 1/20 0.40
HAT1 O14929 1/20 0.40
EP300 Q09472 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SRC P12931 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
RAB9A P51151 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
SCHEMBL5397846 0.93 MEN1 (0.43) HPGDMEN1KMT2ATDP1LMNA
SCHEMBL5409628 0.93 HPGD (0.44) HPGDMEN1KMT2ATDP1LMNA
SCHEMBL5403418 0.92 CHRNB2 (0.47) CNR1HPGDMEN1KMT2ATDP1
SCHEMBL5395356 0.91 KMT2A (0.44) CNR1HPGDMEN1KMT2ATDP1
SCHEMBL5392441 0.90 HPGD (0.45) HPGDMEN1KMT2ALMNAPLAAT3
SCHEMBL4930717 0.89 ALDH1A1 (0.48) CNR1HPGDMEN1KMT2ATDP1
SCHEMBL5402562 0.89 MEN1 (0.44) CNR1HPGDMEN1KMT2ATDP1
SCHEMBL5418225 0.88 MEN1 (0.47) HPGDMEN1KMT2ATDP1PLAAT3
SCHEMBL5412062 0.88 RAB9A (0.57) HPGDKMT2ALMNAALDH1A1RAB9A
SCHEMBL5402851 0.87 FFAR1 (0.47) KMT2AKCNA5SRCCHRNB2CHRNB4

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 CNR1 3335/4885HPGD 1078/4885MEN1 891/4885

“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.