SCHEMBL5014355

SCHEMBL5014355

O=C1CC(=O)N(OCc2ccccc2)C(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
GAA P10253 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 6/20 0.42
LMNA P02545 1/20 0.42
DDB1 Q16531 2/20 0.41
CRBN Q96SW2 2/20 0.41
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
KCNA5 P22460 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL15264534 0.77 GSK3A (0.53) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL1929687 0.75 ALOX12 (0.54) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL20997478 0.75 ALOX12 (0.54) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL22728271 0.74 KMT2A (0.51) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL5519242 0.74 ALDH1A1 (0.41) MEN1KMT2AALDH1A1L3MBTL1GAA
Hydrochloric Acid SCHEMBL6606867 0.74 ALOX12 (0.53) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL21667263 0.73 MEN1 (0.50) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL17639962 0.72 KMT2A (0.80) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL9178601 0.72 MEN1 (0.57) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL9178596 0.72 MEN1 (0.43) MEN1KMT2AALDH1A1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725641-A4 1996-09-04 EP claimed
EP-0725641-A1 NOVEL ENZYME INHIBITORS, THEIR SYNTHESIS, AND METHODS FOR USE El Kouni, Mahmoud H. (US) 1996-08-14 EP claimed
WO-1995012400-A1 NOVEL ENZYME INHIBITORS, THEIR SYNTHESIS, AND METHODS FOR USE UAB RESEARCH FOUNDATION (US) 1995-05-11 WO claimed
US-20180028535-A1 3-HYDROXYPYRIMIDINE-2,4-DIONE-5-CARBOXAMIDES AS POTENT INHIBITORS OF HIV REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-02-01 US disclosed
EP-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 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-20180028535-A1 3-HYDROXYPYRIMIDINE-2,4-DIONE-5-CARBOXAMIDES AS POTENT INHIBITORS OF HIV DPYD, IMPDH2, TYMP MEN1 4800/4885KMT2A 255/4885ALDH1A1 97/4885

“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.