SCHEMBL718636

SCHEMBL718636

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
GAA P10253 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
FPR1 P21462 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
SCHEMBL717308 0.93 KMT2A (0.42) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL718821 0.89 NPC1 (0.45) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL720932 0.89 KDM4E (0.43) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3396979 0.89 NPC1 (0.45) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL718793 0.88 KMT2A (0.42) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL719143 0.85 NPC1 (0.43) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL718398 0.84 KMT2A (0.42) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL716911 0.83 KMT2A (0.40) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL721304 0.82 MAPT (0.45) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL719406 0.82 KDM4E (0.45) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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 NPC1 902/4885RAB9A 2454/4885KDM4E 1907/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP NPC1 902/4885RAB9A 2454/4885KDM4E 1907/4885

“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.