SCHEMBL5403376

SCHEMBL5403376

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
KMT2A Q03164 4/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.48
KCNK3 O14649 1/20 0.47
KCNH2 Q12809 1/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
GAA P10253 1/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL5394126 0.97 RAB9A (0.59) RAB9AKMT2AHTTRECQLKCNK3
SCHEMBL4930711 0.94 KMT2A (0.52) RAB9AKMT2AHTTRECQLKCNK3
SCHEMBL5395620 0.92 KMT2A (0.50) RAB9AKMT2AHTTHCRTR1HCRTR2
SCHEMBL5412112 0.92 KCNK3 (0.55) RAB9AKMT2AHTTRECQLKCNK3
SCHEMBL5401607 0.92 RAB9A (0.58) RAB9AKMT2AUSP2ALDH1A1HPGD
SCHEMBL5394900 0.91 RAB9A (0.64) RAB9AKMT2AUSP2ALDH1A1HPGD
SCHEMBL5398996 0.91 RAB9A (0.67) RAB9AKMT2AUSP2ALDH1A1HPGD
SCHEMBL5400566 0.91 RAB9A (0.60) RAB9AKMT2AHTTRECQLKCNK3
SCHEMBL5409563 0.90 RAB9A (0.61) RAB9AKMT2AUSP2ALDH1A1HPGD
SCHEMBL5407730 0.90 KCNK3 (0.57) RAB9AKMT2AHTTRECQLKCNK3

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 2451/4885HTT 3791/4885

“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.