SCHEMBL5408415

SCHEMBL5408415

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 3/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TP53 P04637 3/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL5392184 0.92 MEN1 (0.47) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5409795 0.92 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5399549 0.90 KMT2A (0.53) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL5407025 0.89 FFAR1 (0.47) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5399241 0.89 NPC1 (0.51) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5402238 0.89 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4933196 0.88 TP53 (0.48) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5406167 0.87 RXFP1 (0.49) MAPTNPC1RAB9ALMNAMEN1
SCHEMBL4930170 0.87 TP53 (0.47) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL5403803 0.87 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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 MAPT 457/4885NPC1 740/4885RAB9A 3132/4885

“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.