SCHEMBL720539

SCHEMBL720539

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(OC4CCOCC4)cc3c2C)C2CCCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
PRSS1 P07477 4/20 0.36
PRSS2 P07478 4/20 0.36
F7 P08709 4/20 0.36
F3 P13726 4/20 0.36
PRSS3 P35030 4/20 0.36
F10 P00742 3/20 0.36
F2 P00734 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL718268 0.93 PRSS1 (0.36) MAPTPRSS1PRSS2F7F3
SCHEMBL717334 0.93 KMT2A (0.35) MAPTKMT2AKDM4EALDH1A1MAOA
SCHEMBL716539 0.91 KMT2A (0.34) KMT2AKDM4EALDH1A1MAOAMAOB
SCHEMBL716683 0.90 NPC1 (0.43) MAPTKMT2AKDM4EALDH1A1TSHR
SCHEMBL720836 0.88 PRSS1 (0.37) MAPTPRSS1PRSS2F7F3
SCHEMBL720981 0.88 KMT2A (0.34) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL718770 0.88 KMT2A (0.35) KMT2AKDM4EALDH1A1HPGDTSHR
SCHEMBL718427 0.88 KMT2A (0.35) KMT2AKDM4EALDH1A1HPGDTSHR
SCHEMBL659262 0.87 MAPT (0.42) MAPTKMT2ATSHRMAPK1MEN1
SCHEMBL716841 0.87 KDM4E (0.37) MAPTKMT2AKDM4EALDH1A1HPGD

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 MAPT 4533/4885PRSS1 3015/4885PRSS2 2382/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885PRSS1 3015/4885PRSS2 2382/4885

“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.