SCHEMBL5403362

SCHEMBL5403362

COc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccc3ccccc23)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
ATM Q13315 1/20 0.55
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
F7 P08709 1/20 0.49
SMPD1 P17405 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
APEX1 P27695 1/20 0.46
MEN1 O00255 1/20 0.45
NOD2 Q9HC29 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.42
RAB9A P51151 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
SCHEMBL5394185 0.95 KMT2A (0.51) KMT2AATMF2F10F7
SCHEMBL5406868 0.95 KMT2A (0.51) KMT2AATMF2F10F7
SCHEMBL5398706 0.91 POLB (0.53) KMT2AATMAPEX1MEN1PKM
SCHEMBL5398262 0.90 ALDH1A1 (0.52) KMT2AAPEX1MEN1NOD2RAB9A
SCHEMBL5412093 0.89 RAB9A (0.56) KMT2AATMCHRNB2CHRNA4APEX1
SCHEMBL5402292 0.89 PTPN1 (0.52) KMT2ACHRNB2CHRNA4MEN1MAPT
SCHEMBL5416775 0.89 KMT2A (0.54) KMT2AATMAPEX1MEN1
SCHEMBL5402564 0.89 CHRNB2 (0.53) KMT2ACHRNB2CHRNA4MEN1CYP1A2
SCHEMBL5397939 0.88 KMT2A (0.58) KMT2AAPEX1MAPT
SCHEMBL5405814 0.88 CHRNB2 (0.51) KMT2AATMCHRNB2CHRNA4APEX1

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 KMT2A 2451/4885ATM 959/4885F2 523/4885

“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.