SCHEMBL720695

SCHEMBL720695

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(OCCSC)cc3c2C)C2CCCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 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
SCHEMBL717377 0.97 KDM4E (0.36) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL10249389 0.93 NPC1 (0.38) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL716841 0.92 KDM4E (0.37) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL3397947 0.90 NPC1 (0.37) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL716683 0.90 NPC1 (0.43) KDM4EALDH1A1TSHRMAPK1NPC1
SCHEMBL719411 0.89 KDM4E (0.35) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL718844 0.88 KDM4E (0.38) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL720090 0.88 KDM4E (0.34) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL717983 0.88 NPC1 (0.39) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL718846 0.87 KDM4E (0.36) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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 (2 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
US-20120270865-A2 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.