SCHEMBL718026

SCHEMBL718026

CCOC(=O)CCNC(=O)c1ccc(NC(c2oc3ccc(OCc4ccccc4)cc3c2C)C2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 1/20 0.41
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CHRM4 P08173 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SPHK2 Q9NRA0 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
ROCK1 Q13464 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL719039 0.98 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL3401003 0.93 MAOB (0.43) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL3399704 0.92 MEN1 (0.40) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL718361 0.90 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3399703 0.90 GCG (0.40) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL724867 0.89 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL716569 0.89 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL716997 0.88 GCG (0.44) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL718844 0.88 KDM4E (0.38) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL716647 0.88 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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 MEN1 444/4885KMT2A 1298/4885KDM4E 1907/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885KDM4E 1907/4885

“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.