SCHEMBL718240

SCHEMBL718240

COCCOc1ccc2oc(C(Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)C3CCCCC3)c(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
TP53 P04637 1/20 0.37
KMT2A Q03164 3/20 0.36
MCHR1 Q99705 1/20 0.35
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LIMK2 P53671 1/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL716841 0.93 KDM4E (0.37) NPC1RAB9ATP53KMT2AKDM4E
SCHEMBL719915 0.92 NPC1 (0.45) NPC1RAB9ATP53KMT2AKDM4E
SCHEMBL10249389 0.91 NPC1 (0.38) NPC1RAB9ATP53KMT2AMCHR1
SCHEMBL3397947 0.91 NPC1 (0.37) NPC1RAB9ATP53KMT2AMCHR1
SCHEMBL719108 0.90 NPC1 (0.37) NPC1RAB9ATP53KMT2AMCHR1
SCHEMBL720498 0.90 CASP3 (0.40) NPC1RAB9AKMT2AKDM4EL3MBTL1
SCHEMBL718650 0.89 NPC1 (0.35) NPC1RAB9ATP53KMT2AKDM4E
SCHEMBL716671 0.88 MAPT (0.34) NPC1RAB9ATP53KMT2ALMNA
SCHEMBL721484 0.88 GCG (0.43) NPC1RAB9ALMNAMAPTNPSR1
SCHEMBL721186 0.88 NPC1 (0.35) NPC1RAB9ATP53KMT2A

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 NPC1 902/4885RAB9A 2454/4885TP53 293/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP NPC1 902/4885RAB9A 2454/4885TP53 293/4885

“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.