SCHEMBL5404063

SCHEMBL5404063

CN(C(=O)c1ccccc1-c1ccccc1C(=O)N(CCCc1ccccc1)CCC(=O)O)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
PHF8 Q9UPP1 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
LPAR1 Q92633 7/20 0.40
LTB4R2 Q9NPC1 1/20 0.39
LTB4R Q15722 4/20 0.38
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL5407120 0.95 KMT2A (0.41) KDM4AKDM5AKDM4CPHF8KDM2A
SCHEMBL5402960 0.89 ALDH1A1 (0.43) KDM4AKDM4CLPAR1LTB4R2MAPK1
SCHEMBL5399037 0.89 TRPM8 (0.39) KDM4AKDM5AKDM4CPHF8KDM2A
SCHEMBL5409193 0.88 TSHR (0.43) HDAC1HDAC6NPC1MEN1KMT2A
SCHEMBL5418561 0.86 TDP1 (0.47) LPAR1LTB4RMAPK1SMN1; SMN2MEN1
SCHEMBL5402237 0.86 TBXAS1 (0.42) KMT2A
SCHEMBL5399258 0.85 POLB (0.36) MAPK1MEN1KMT2AALDH1A1
SCHEMBL5406842 0.85 FFAR1 (0.43) LTB4R2LTB4RSMN1; SMN2NPC1MEN1
SCHEMBL5398741 0.85 CA1 (0.48)
SCHEMBL5402518 0.84 MEN1 (0.47) LPAR1HDAC1HDAC6MEN1KMT2A

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 KDM4A 3459/4885KDM5A 4159/4885KDM4C 4653/4885

“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.