SCHEMBL719561

SCHEMBL719561

CCOC(=O)CCN(C)C(=O)c1ccc(NC(CC(C)C)c2oc3ccc(OCc4ccccc4)cc3c2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.38
MAOB P27338 1/20 0.37
MEN1 O00255 2/20 0.37
RAD52 P43351 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
RCE1 Q9Y256 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
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
SCHEMBL719193 0.93 CASP3 (0.41) MAPTCASP3SENP8SENP7SENP6
SCHEMBL2669790 0.93 CASP3 (0.42) MAPTCASP3SENP8SENP7SENP6
SCHEMBL719948 0.90 CASP3 (0.41) MAPTCASP3SENP8SENP7SENP6
SCHEMBL716349 0.90 KMT2A (0.45) MAPTL3MBTL1NPC1RAB9AMEN1
SCHEMBL719322 0.89 KMT2A (0.43) MAPTL3MBTL1NPC1RAB9AMEN1
SCHEMBL719544 0.88 CASP3 (0.40) MAPTCASP3SENP8SENP7SENP6
SCHEMBL3401409 0.87 CASP3 (0.44) MAPTCASP3SENP8SENP7SENP6
SCHEMBL720180 0.86 MAOB (0.39) RAB9APKMMAOBKMT2AKDM4E
SCHEMBL719666 0.85 MAOB (0.38) RAB9AMAOBKMT2AKDM4EALDH1A1
SCHEMBL718844 0.84 KDM4E (0.38) MAPTCASP3SENP8SENP7SENP6

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 4533/4885CASP3 489/4885SENP8 1677/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885CASP3 489/4885SENP8 1677/4885

“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.