SCHEMBL5409795

SCHEMBL5409795

CCOc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
LMNA P02545 1/20 0.43
CYP2D6 P10635 3/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL5401008 0.92 RAB9A (0.52) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5408415 0.92 MAPT (0.55) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5406045 0.91 RAB9A (0.55) RAB9ANPC1CA1CA2CA7
SCHEMBL5401081 0.89 RAB9A (0.43) MAPTRAB9ACA1CA2CA7
SCHEMBL5402665 0.89 RAB9A (0.61) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL5416693 0.88 RAB9A (0.48) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5398729 0.88 RAB9A (0.50) RAB9AKMT2ALTB4RLTB4R2CYP2D6
SCHEMBL4929716 0.87 RAB9A (0.47) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5394169 0.87 RAB9A (0.45) RAB9ACA1CA2CA7CA9
SCHEMBL5394436 0.87 RAB9A (0.47) MAPTRAB9ANPC1MEN1KMT2A

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 457/4885RAB9A 3132/4885NPC1 740/4885

“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.