SCHEMBL719458

SCHEMBL719458

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(OCc4ccc(Cl)nc4)cc3c2C)C2CCCCC2)cc1.Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(OCc3ccc(Cl)nc3)cc12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GCG P01275 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 4/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC26A4 O43511 2/20 0.32
IDH1 O75874 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
TERT O14746 2/20 0.31

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
SCHEMBL719700 0.98 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDTSHRMAPK1
SCHEMBL717011 0.96 GCG (0.35) ALDH1A1KDM4EGCGNPC1RAB9A
SCHEMBL724281 0.90 GPR132 (0.37) ALDH1A1KDM4EHPGDTSHRMAPK1
SCHEMBL721587 0.90 KDM4E (0.35) ALDH1A1KDM4EHPGDTSHRMAPK1
SCHEMBL718844 0.89 KDM4E (0.38) ALDH1A1KDM4EHPGDTSHRMAPK1
SCHEMBL716997 0.88 GCG (0.44) ALDH1A1KDM4EGCGKMT2AMEN1
SCHEMBL720179 0.88 MAPK14 (0.37) ALDH1A1KDM4EHPGDTSHRMAPK1
SCHEMBL718846 0.88 KDM4E (0.36) ALDH1A1KDM4EHPGDTSHRMAPK1
SCHEMBL724867 0.87 MEN1 (0.42) ALDH1A1KDM4EHPGDTSHRMAPK1
SCHEMBL719699 0.86 KDM4E (0.34) ALDH1A1KDM4EHPGDTSHRMAPK1

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 ALDH1A1 504/4885KDM4E 1907/4885HPGD 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.