SCHEMBL5409254

SCHEMBL5409254

COc1ccc(CNC(=O)c2ccccc2-c2ccccc2C(=O)N(CCC(=O)O)CCc2cccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 5/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 4/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL5418566 0.93 TSHR (0.52) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL5399064 0.91 HPGD (0.48) RAB9APOLBMEN1KMT2ATDP1
SCHEMBL5395971 0.91 RAB9A (0.59) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL5399600 0.90 TSHR (0.53) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL5392088 0.90 HPGD (0.49) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL5399048 0.89 ALDH1A1 (0.52) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL5409376 0.88 POLB (0.49) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL5392399 0.88 HPGD (0.49) RAB9APOLBMEN1KMT2ATDP1
SCHEMBL5398082 0.88 ALDH1A1 (0.54) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL5402499 0.88 ALDH1A1 (0.54) RAB9ANPC1MEN1KMT2AHPGD

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 3132/4885NPC1 740/4885POLB 527/4885

“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.