SCHEMBL5402996

SCHEMBL5402996

COc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccnc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.53
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
USP2 O75604 2/20 0.53
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
HTT P42858 2/20 0.51
KMT2A Q03164 1/20 0.51
CYP2C19 P33261 2/20 0.51
GALR3 O60755 1/20 0.49
NR2F2 P24468 1/20 0.49
MAPK1 P28482 1/20 0.47
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL4930242 0.95 POLB (0.49) POLBRECQLL3MBTL1ALDH1A1NPSR1
SCHEMBL4926475 0.95 L3MBTL1 (0.51) POLBRECQLL3MBTL1ALDH1A1NPSR1
SCHEMBL5398262 0.92 ALDH1A1 (0.52) ALDH1A1HTTKMT2AMAPK1HPGD
SCHEMBL5403376 0.89 RAB9A (0.56) POLBRECQLALDH1A1USP2HTT
SCHEMBL5412112 0.89 KCNK3 (0.55) RECQLALDH1A1USP2HTTKMT2A
SCHEMBL5392400 0.88 HTT (0.52) POLBRECQLL3MBTL1ALDH1A1NPSR1
SCHEMBL4930711 0.88 KMT2A (0.52) POLBRECQLL3MBTL1ALDH1A1USP2
SCHEMBL4930152 0.88 KMT2A (0.49) POLBRECQLL3MBTL1ALDH1A1NPSR1
SCHEMBL5412154 0.88 HTT (0.62) ALDH1A1USP2CYP1A2CYP3A4TSHR
SCHEMBL5409151 0.88 HTT (0.62) ALDH1A1USP2CYP1A2CYP3A4TSHR

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 POLB 527/4885RECQL 2470/4885L3MBTL1 1016/4885

“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.