SCHEMBL718793

SCHEMBL718793

COc1ccc2oc(C(CCCCSC)Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)c(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 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
SCHEMBL716911 0.95 KMT2A (0.40) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL718398 0.93 KMT2A (0.42) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL718234 0.91 NPC1 (0.45) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL717989 0.91 KMT2A (0.43) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL719521 0.90 KMT2A (0.37) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL720182 0.89 KMT2A (0.42) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL718636 0.88 NPC1 (0.41) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL3396979 0.87 NPC1 (0.45) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL717308 0.86 KMT2A (0.42) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL720472 0.86 KMT2A (0.41) KMT2ANPC1RAB9AKDM4EALDH1A1

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 9 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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
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-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
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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 1298/4885NPC1 902/4885RAB9A 2454/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885NPC1 902/4885RAB9A 2454/4885

“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.