SCHEMBL4520626

SCHEMBL4520626

O=C(Nc1ccsc1C(=O)NCCC1CCOCC1)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
EPHX2 P34913 2/20 0.47
NAMPT P43490 3/20 0.46
LDLR P01130 1/20 0.45
SERPINE1 P05121 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
DEGS1 O15121 1/20 0.42
MMP12 P39900 1/20 0.41

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
SCHEMBL4526064 0.78 KMT2A (0.61) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4067562 0.75 ALDH1A1 (0.65) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL10724023 0.68 LDLR (0.62) ALDH1A1GAALDLRHDAC6HDAC3
SCHEMBL13061385 0.65 HDAC6 (0.59) ALDH1A1GAAEPHX2NAMPTSERPINE1
SCHEMBL4519344 0.64 HPGD (0.55) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL422315 0.64 SERPINE1 (0.81) ALDH1A1MEN1KMT2ANAMPTSERPINE1
SCHEMBL29838729 0.64 SERPINE1 (0.81) ALDH1A1MEN1KMT2ANAMPTSERPINE1
SCHEMBL22919723 0.64 CXCR4 (0.61) ALDH1A1MEN1KMT2AGAALDLR
SCHEMBL17483890 0.64 HDAC6 (0.58) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL32669061 0.63 MAPT (0.60) KDM4EALDH1A1CYP1A2CYP3A4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325933-A1 Pyrimidinone Derivatives and Their Use as a Drug IPSEN PHARMA S.A.S. (FR) 2009-12-31 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-20090325933-A1 Pyrimidinone Derivatives and Their Use as a Drug CNR1, CNR2, GPR18 KDM4E 1680/4885ALDH1A1 2323/4885MEN1 3878/4885

“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.