SCHEMBL5402850

SCHEMBL5402850

CN(C)CCN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LIMK2 P53671 1/20 0.46
HTR5A P47898 1/20 0.45
LPAR1 Q92633 3/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5397896 0.93 KMT2A (0.52) MEN1KMT2ALIMK2HTR5ALPAR1
SCHEMBL5397305 0.92 TSHR (0.54) LPAR1TSHRMAPK1LTB4R2LMNA
SCHEMBL5398893 0.91 KMT2A (0.56) MEN1KMT2ALIMK2LPAR1ALDH1A1
SCHEMBL5397925 0.88 GAA (0.50) MEN1KMT2ALIMK2LPAR1TSHR
SCHEMBL5399607 0.88 LTB4R2 (0.56) LIMK2LPAR1ALDH1A1LTB4R2LMNA
SCHEMBL5409849 0.87 KMT2A (0.49) MEN1KMT2ALIMK2HTR5ALPAR1
SCHEMBL5409599 0.87 TDP1 (0.58) MEN1KMT2ALPAR1TSHRALDH1A1
SCHEMBL5394630 0.86 LPAR1 (0.53) MEN1KMT2ALIMK2HTR5ALPAR1
SCHEMBL5412182 0.85 KMT2A (0.47) MEN1KMT2ALIMK2HTR5ALPAR1
SCHEMBL5399681 0.84 KMT2A (0.54) KMT2AALDH1A1TP53RAB9ALMNA

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 MEN1 891/4885KMT2A 2451/4885LIMK2 3481/4885

“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.