SCHEMBL5400979

SCHEMBL5400979

O=C(O)CCN(CCc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HCRTR1 O43613 1/20 0.47
RAB9A P51151 1/20 0.46
CNR2 P34972 2/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PPARG P37231 1/20 0.44
LMNA P02545 1/20 0.44
PLAAT3 P53816 2/20 0.43
PLAAT5 Q96KN8 2/20 0.43
PLAAT2 Q9NWW9 2/20 0.43
PLAAT4 Q9UL19 2/20 0.43
MAPT P10636 1/20 0.43
PLA2G1B P04054 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5397160 0.95 APEX1 (0.47) APEX1KMT2AMEN1HCRTR1RAB9A
SCHEMBL5400696 0.94 KMT2A (0.45) APEX1KMT2AMEN1HCRTR1RAB9A
SCHEMBL5399021 0.94 MEN1 (0.47) APEX1KMT2AMEN1HCRTR1RAB9A
SCHEMBL5397143 0.92 RAB9A (0.53) APEX1KMT2AMEN1HCRTR1RAB9A
SCHEMBL5401176 0.91 CA1 (0.49) KMT2AMEN1HCRTR1PPARGMAPT
SCHEMBL5405946 0.91 HTT (0.52) APEX1KMT2AMEN1HCRTR1RAB9A
SCHEMBL5402574 0.91 APEX1 (0.49) APEX1KMT2AMEN1HCRTR1RAB9A
SCHEMBL5409628 0.91 HPGD (0.44) APEX1KMT2AMEN1HCRTR1RAB9A
SCHEMBL5404244 0.90 RAB9A (0.45) APEX1KMT2AMEN1HCRTR1RAB9A
SCHEMBL5409129 0.90 RAB9A (0.56) APEX1KMT2AMEN1HCRTR1RAB9A

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 APEX1 2957/4885KMT2A 2451/4885MEN1 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.