SCHEMBL721412

SCHEMBL721412

COCCN(C)c1ccc2oc(C=O)c(C)c2c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
CFTR P13569 1/20 0.32
NTSR1 P30989 5/20 0.32
DGAT1 O75907 1/20 0.31
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 4/20 0.31
HPGD P15428 2/20 0.30
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL718577 0.79 LMNA (0.35) IGLV6-57NPC1RAB9ALMNAMAPT
SCHEMBL720837 0.78 L3MBTL1 (0.44) NPC1RAB9ALMNAMAPTNPSR1
SCHEMBL11583086 0.72 ALDH1A1 (0.40) IGLV6-57NPC1RAB9AL3MBTL1CFTR
SCHEMBL717257 0.71 KDM4E (0.60) NPC1RAB9ALMNAMAPTL3MBTL1
SCHEMBL717430 0.70 MAPT (0.38) NPC1RAB9ALMNAMAPTNPSR1
SCHEMBL718538 0.70 ALPG (0.51) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL18692778 0.69 CYP2A6 (0.52) LMNAMAPTL3MBTL1CFTRDGAT1
SCHEMBL10844181 0.68 TYR (0.47) LMNAMAPTNPSR1L3MBTL1CFTR
SCHEMBL24757778 0.68 MEN1 (0.49) NPC1RAB9ALMNAMAPTNPSR1
SCHEMBL719067 0.68 MCL1 (0.55) NPC1RAB9AKDM4EALDH1A1HPGD

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 IGLV6-57 4752/4885NPC1 902/4885RAB9A 2454/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP IGLV6-57 4752/4885NPC1 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.