SCHEMBL716647

SCHEMBL716647

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GCG P01275 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL721612 0.97 MEN1 (0.40) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL3403130 0.92 GCG (0.41) NPC1RAB9AGCG
SCHEMBL718361 0.92 MEN1 (0.44) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL719243 0.90 MEN1 (0.42) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL716965 0.89 GCG (0.41) SMN1; SMN2NPC1RAB9AALDH1A1GCG
SCHEMBL717377 0.88 KDM4E (0.36) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL718026 0.88 MEN1 (0.43) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL721358 0.88 MEN1 (0.40) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL719578 0.86 MEN1 (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL719039 0.86 MEN1 (0.42) MEN1KMT2AMAPTSMN1; SMN2KDM4E

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 1298/4885MAPT 4533/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885MAPT 4533/4885

“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.