SCHEMBL17322682

SCHEMBL17322682

CNC(=O)CCCCCNC(=S)Nc1ccc(C[C@H](CN(CCN(CC(=O)O)CC(=O)O)COC=O)N(COC=O)COC=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
FOLH1 Q04609 2/20 0.34
HDAC1 Q13547 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
GSK3B P49841 2/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TGM2 P21980 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL17322685 0.93 ALDH1A1 (0.38) ALDH1A1LMNAKMT2AMAPTFOLH1
SCHEMBL17322684 0.92 ALDH1A1 (0.38) ALDH1A1LMNAKMT2AMAPTFOLH1
SCHEMBL20079589 0.89 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMAPTFOLH1
SCHEMBL17325863 0.81 ALDH1A1 (0.41) ALDH1A1LMNAKMT2AMAPTHDAC1
SCHEMBL21554140 0.79 LMNA (0.42) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL20079622 0.78 ALDH1A1 (0.41) ALDH1A1LMNAKMT2AMAPTFOLH1
SCHEMBL13224653 0.77 LMNA (0.45) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL15765285 0.77 CA2 (0.36) ALDH1A1LMNAKMT2AMAPTFOLH1
SCHEMBL13527700 0.76 HDAC1 (0.42) FOLH1HDAC1HDAC6CA1CA2
SCHEMBL10014305 0.73 CA1 (0.35) LMNACA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9950083-B2 Polypeptide and imaging method KYOTO UNIVERSITY (JP) 2018-04-24 US disclosed
US-20150352233-A1 Polypeptide and Imaging Method ARKRAY, INC. (JP) 2015-12-10 US 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-20150352233-A1 Polypeptide and Imaging Method GLP1R, NGLY1, NPY1R ALDH1A1 3779/4885LMNA 677/4885KMT2A 1894/4885

“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.