SCHEMBL5401600

SCHEMBL5401600

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2ccncc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
LPAR1 Q92633 2/20 0.42
SLC2A1 P11166 2/20 0.42
MLNR O43193 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ROCK2 O75116 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
SLC2A4 P14672 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AOC3 Q16853 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
ROCK1 Q13464 4/20 0.39
PRKACA P17612 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
GSK3A P49840 1/20 0.39

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
SCHEMBL5403373 0.91 ABCB1 (0.43) RAB9ALPAR1MLNRROCK2PTGDR2
SCHEMBL5407016 0.87 RAB9A (0.43) RAB9ALPAR1MLNRMEN1KMT2A
SCHEMBL5401607 0.86 RAB9A (0.58) RAB9AMEN1KMT2AROCK2ROCK1
SCHEMBL5402518 0.85 MEN1 (0.47) RAB9ALPAR1MLNRMEN1KMT2A
SCHEMBL5409563 0.84 RAB9A (0.61) RAB9ASLC2A1MEN1KMT2AROCK2
SCHEMBL5402272 0.84 MEN1 (0.49) RAB9ALPAR1MEN1KMT2ALPAR5
SCHEMBL5412086 0.83 RAB9A (0.45) RAB9ALPAR1MEN1KMT2AHDAC1
SCHEMBL4930701 0.83 TRPV1 (0.41) RAB9ALPAR1ABCB1
SCHEMBL5409396 0.83 RAB9A (0.43) RAB9ALPAR1MLNRMEN1KMT2A
SCHEMBL5399052 0.83 LPAR1 (0.50) RAB9ALPAR1MEN1KMT2ATDP1

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 RAB9A 3132/4885LPAR1 17/4885SLC2A1 292/4885

“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.