SCHEMBL5402238

SCHEMBL5402238

C=CCNC(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccc(OCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LTB4R Q15722 3/20 0.40
LTB4R2 Q9NPC1 3/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 2/20 0.38
CYP1A2 P05177 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
SCHEMBL5409220 0.91 TDP1 (0.48) MAPTFFAR1FFAR4TDP1KDM4E
SCHEMBL5401081 0.90 RAB9A (0.43) MAPTTDP1KDM4ERAB9ALTB4R
SCHEMBL5392184 0.89 MEN1 (0.47) MAPTFFAR1FFAR4KDM4ENPC1
SCHEMBL5408415 0.89 MAPT (0.55) MAPTFFAR1FFAR4NPC1RAB9A
SCHEMBL5409541 0.88 MAPT (0.56) MAPTNPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL5396800 0.88 MAPT (0.48) MAPTTDP1KDM4ENPC1RAB9A
SCHEMBL5407025 0.88 FFAR1 (0.47) MAPTFFAR1FFAR4TDP1NPC1
SCHEMBL4933196 0.86 TP53 (0.48) MAPTFFAR1FFAR4KDM4ENPC1
SCHEMBL5399268 0.86 APP (0.42) MAPTKMT2AALDH1A1LMNA
SCHEMBL5416702 0.86 APP (0.46) LTB4RLTB4R2KMT2AALDH1A1LMNA

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 457/4885FFAR1 65/4885FFAR4 187/4885

“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.