SCHEMBL9280876

SCHEMBL9280876

COc1cccc(CNC(=O)C2CCCN2C(=O)C2CCCN2C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
HRH3 Q9Y5N1 1/20 0.56
ALDH1A1 P00352 4/20 0.55
PKM P14618 4/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP2C19 P33261 1/20 0.52
LMNA P02545 1/20 0.52
F2 P00734 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL9280850 1.00 KMT2A (0.58) KMT2AMEN1HRH3ALDH1A1PKM
SCHEMBL9280010 0.85 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1PKMCYP3A4
SCHEMBL9280014 0.85 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1PKMCYP3A4
SCHEMBL9275791 0.84 F2 (0.71) KMT2AMEN1ALDH1A1PKMCYP3A4
SCHEMBL9275807 0.84 F2 (0.71) KMT2AMEN1ALDH1A1PKMCYP3A4
SCHEMBL17048543 0.79 F2 (0.58) KMT2AMEN1ALDH1A1PKMCYP3A4
SCHEMBL9277848 0.79 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1CYP2C19LMNA
SCHEMBL9277842 0.79 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1CYP2C19LMNA
SCHEMBL9277032 0.79 HRH3 (0.53) HRH3ALDH1A1PKMCYP3A4CYP2C9
SCHEMBL9277038 0.79 HRH3 (0.53) HRH3ALDH1A1PKMCYP3A4CYP2C9

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-9193762-B2 Selective inhibitors of prolylcarboxypeptidase UNIVERSITY OF MISSISSIPPI (US) 2015-11-24 US disclosed
US-20130310311-A1 NOVEL SELECTIVE INHIBITORS OF PROLYLCARBOXYPEPTIDASE THE UNIVERSITY OF MISSISSIPPI 2013-11-21 US disclosed
WO-2012075287-A2 NOVEL SELECTIVE INHIBITORS OF PROLYLCARBOXYPEPTIDASE THE UNIVERSITY OF MISSISSIPPI (US) 2012-06-07 WO 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-20130310311-A1 NOVEL SELECTIVE INHIBITORS OF PROLYLCARBOXYPEPTIDASE PREP, PEPD, DPEP1 KMT2A 3406/4885MEN1 2681/4885HRH3 1570/4885

“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.