SCHEMBL5401607

SCHEMBL5401607

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccncc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.58
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
ROCK1 Q13464 4/20 0.48
ROCK2 O75116 3/20 0.48
HPGD P15428 2/20 0.48
PRKACA P17612 2/20 0.48
PRKX P51817 2/20 0.48
PRKCQ Q04759 2/20 0.48
GSK3B P49841 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
GSK3A P49840 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL5409563 0.97 RAB9A (0.61) RAB9AKMT2AALDH1A1POLBMAPT
SCHEMBL5394900 0.95 RAB9A (0.64) RAB9AKMT2AALDH1A1POLBMAPT
SCHEMBL5398996 0.93 RAB9A (0.67) RAB9AKMT2AALDH1A1POLBMAPT
SCHEMBL5397871 0.92 RAB9A (0.61) RAB9AKMT2AALDH1A1POLBMAPT
SCHEMBL5403376 0.92 RAB9A (0.56) RAB9AKMT2AALDH1A1POLBMAPT
SCHEMBL5399552 0.91 RAB9A (0.67) RAB9AKMT2AALDH1A1POLBMAPT
SCHEMBL5400985 0.90 RAB9A (0.59) RAB9AKMT2AALDH1A1POLBMAPT
SCHEMBL5392894 0.90 POLB (0.50) RAB9AKMT2AALDH1A1POLBMAPT
SCHEMBL5394126 0.90 RAB9A (0.59) RAB9AKMT2AALDH1A1POLBMAPT
SCHEMBL5409640 0.90 RAB9A (0.58) RAB9AKMT2AALDH1A1POLBMAPT

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 3132/4885KMT2A 2451/4885ALDH1A1 1256/4885

“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.