SCHEMBL716349

SCHEMBL716349

CCOC(=O)CCN(C)C(=O)c1ccc(NC(CC(C)C)c2oc3ccc(OC)cc3c2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
TSHR P16473 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 4/20 0.38
MAPT P10636 2/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 3/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RCE1 Q9Y256 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL719322 0.98 KMT2A (0.43) KMT2ATSHRNPC1RAB9AKDM4E
SCHEMBL720202 0.92 KMT2A (0.46) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL720180 0.90 MAOB (0.39) KMT2ARAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL719561 0.90 MAPT (0.41) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL720030 0.88 KMT2A (0.43) KMT2ATSHRNPC1RAB9AKDM4E
SCHEMBL719190 0.88 KMT2A (0.47) KMT2ATSHRNPC1RAB9AKDM4E
SCHEMBL720118 0.88 KMT2A (0.43) KMT2ATSHRNPC1RAB9AKDM4E
SCHEMBL719666 0.88 MAOB (0.38) KMT2ARAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL716737 0.87 NPC1 (0.46) KMT2ATSHRNPC1RAB9AKDM4E
SCHEMBL718398 0.86 KMT2A (0.42) KMT2ATSHRNPC1RAB9AKDM4E

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 KMT2A 1298/4885TSHR 1555/4885NPC1 902/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885TSHR 1555/4885NPC1 902/4885

“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.