SCHEMBL5402960

SCHEMBL5402960

CN(C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)Cc1ccccc1)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 3/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
LPAR1 Q92633 2/20 0.39
LIMK2 P53671 1/20 0.39
KDM4A O75164 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL5409138 0.93 ALDH1A1 (0.39) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL5399597 0.91 ALDH1A1 (0.49) ALDH1A1MEN1KMT2APOLBTSHR
SCHEMBL5407120 0.90 KMT2A (0.41) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL5411836 0.90 KCNA5 (0.43) ALDH1A1KMT2A
SCHEMBL5404063 0.89 KDM4A (0.40) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5409193 0.87 TSHR (0.43) ALDH1A1MEN1KMT2APOLBTSHR
SCHEMBL5399037 0.85 TRPM8 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2TRPM8
SCHEMBL5402237 0.83 TBXAS1 (0.42) KMT2A
SCHEMBL5392871 0.83 PKM (0.35) ALDH1A1MEN1KMT2APOLBTSHR
SCHEMBL5399258 0.83 POLB (0.36) ALDH1A1MEN1KMT2APOLBTSHR

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 ALDH1A1 1256/4885MEN1 891/4885KMT2A 2451/4885

“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.