SCHEMBL4473392

SCHEMBL4473392

CC(C)c1nc(-c2ccc(Br)cc2)oc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 3/20 0.38
TARBP2 Q15633 1/20 0.38
DGAT1 O75907 1/20 0.36
MAPT P10636 4/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HDAC6 Q9UBN7 3/20 0.35
TP53 P04637 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 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
SCHEMBL5220663 0.85 RAB9A (0.36) NPC1RAB9ARXFP1KDM4ETARBP2
SCHEMBL4478483 0.83 NPC1 (0.43) NPC1RAB9ARXFP1KDM4EMAPT
SCHEMBL4475581 0.81 IKBKB (0.43) NPC1RAB9AKDM4EMAPTKMT2A
SCHEMBL4469328 0.74 TARBP2 (0.39) NPC1RAB9ARXFP1KDM4ETARBP2
SCHEMBL4473360 0.73 TARBP2 (0.41) NPC1RAB9ARXFP1KDM4ETARBP2
SCHEMBL29111853 0.72 MAPT (0.44) NPC1RAB9ARXFP1KDM4EDGAT1
SCHEMBL6221124 0.71 TARBP2 (0.39) NPC1RAB9ARXFP1KDM4ETARBP2
SCHEMBL4482083 0.71 TARBP2 (0.39) NPC1RAB9ARXFP1KDM4ETARBP2
SCHEMBL4462656 0.69 TARBP2 (0.62) NPC1RAB9AKDM4ETARBP2MAPT
SCHEMBL4029802 0.69 TSHR (0.38) NPC1RAB9AKDM4ETARBP2MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 US disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 WO disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO 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 (3 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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG NPC1 862/4885RAB9A 3823/4885RXFP1 737/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD NPC1 613/4885RAB9A 3861/4885RXFP1 795/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD NPC1 638/4885RAB9A 2722/4885RXFP1 1471/4885

“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.