SCHEMBL5406868

SCHEMBL5406868

CCOc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccc3ccccc23)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
ATM Q13315 1/20 0.51
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
F7 P08709 1/20 0.45
SMPD1 P17405 1/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 2/20 0.43
APEX1 P27695 1/20 0.41
PPARA Q07869 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
NOD2 Q9HC29 1/20 0.40

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 0.97 KMT2A (0.51) KMT2AATMCHRNB2CHRNA4F2
SCHEMBL5403362 0.95 KMT2A (0.55) KMT2AATMCHRNB2CHRNA4F2
SCHEMBL5402571 0.91 POLB (0.46) KMT2AATMMAPTLMNATP53
SCHEMBL5403132 0.91 LMNA (0.48) MAPTLMNATP53APEX1PPARA
SCHEMBL5398963 0.90 KMT2A (0.48) KMT2AATMMAPTLMNATP53
SCHEMBL5399414 0.89 SMN1; SMN2 (0.47) KMT2AMAPTLMNATP53MEN1
SCHEMBL5403001 0.89 KMT2A (0.51) KMT2AMAPTLMNATP53MEN1
SCHEMBL5392437 0.88 LMNA (0.46) KMT2AMAPTLMNATP53MEN1
SCHEMBL5399251 0.88 POLB (0.46) KMT2AATMLMNAPPARAPKM
SCHEMBL5397415 0.88 PPARA (0.46) MAPTLMNATP53APEX1PPARA

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 959/4885CHRNB2 857/4885

“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.