SCHEMBL721587

SCHEMBL721587

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(OCc4ccncc4)cc3c2C)C2CCCCC2)cc1.Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(OCc3ccncc3)cc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 4/20 0.34
MAPK14 Q16539 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC2A1 P11166 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL718846 0.98 KDM4E (0.36) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL721186 0.95 NPC1 (0.35) MAPK14GPR55NPC1RAB9ACYP4F2
SCHEMBL718844 0.93 KDM4E (0.38) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL724281 0.93 GPR132 (0.37) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL720179 0.90 MAPK14 (0.37) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL719699 0.90 KDM4E (0.34) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL719458 0.90 ALDH1A1 (0.33) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL720498 0.89 CASP3 (0.40) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL716904 0.88 MEN1 (0.35) KMT2AMEN1
SCHEMBL719700 0.88 ALDH1A1 (0.34) KDM4EALDH1A1HPGDTSHRMAPK1

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-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885ALDH1A1 504/4885HPGD 486/4885

“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.