SCHEMBL4470229

SCHEMBL4470229

CC(C)c1nc(-c2ccccc2Br)oc1C(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
C1R P00736 1/20 0.42
MAPT P10636 9/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
TP53 P04637 7/20 0.40
RAB9A P51151 9/20 0.40
NPC1 O15118 6/20 0.40
NFKB1 P19838 4/20 0.40
NFKB2 Q00653 4/20 0.40
RELA Q04206 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 3/20 0.39
TSHR P16473 1/20 0.39
ELANE P08246 1/20 0.38

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
SCHEMBL6222601 0.77 KMT2A (0.39) KMT2AC1RMAPTSMN1; SMN2TP53
SCHEMBL4469328 0.77 TARBP2 (0.39) KMT2AMAPTSMN1; SMN2TP53RAB9A
SCHEMBL4470757 0.75 NPC1 (0.44) KMT2AMAPTSMN1; SMN2TP53RAB9A
SCHEMBL6614503 0.72 ALOX5 (0.43) KMT2AC1RMAPTSMN1; SMN2TP53
SCHEMBL6612985 0.69 MAPT (0.42) KMT2AC1RMAPTSMN1; SMN2TP53
SCHEMBL4475310 0.68 IKBKB (0.44) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL7737616 0.67 MAPT (0.40) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL4475100 0.65 NOTUM (0.43) ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL7743334 0.64 MAPT (0.67) KMT2AC1RMAPTSMN1; SMN2TP53
SCHEMBL29404641 0.64 MAPT (0.67) KMT2AC1RMAPTSMN1; SMN2TP53

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 10 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-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581521-A1 FUSED HETEROCYCLIC 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
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

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 KMT2A 2455/4885C1R 2809/4885MAPT 2395/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD KMT2A 4165/4885C1R 744/4885MAPT 4851/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD KMT2A 2858/4885C1R 2620/4885MAPT 3515/4885

“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.