SCHEMBL4043633

SCHEMBL4043633

O=C(O)c1coc2c(F)cccc12.[N-]=[N+]=N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.40
PSMB5 P28074 2/20 0.40
PSMB8 P28062 1/20 0.40
MAOB P27338 1/20 0.39
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
GPR35 Q9HC97 2/20 0.33
AURKA O14965 1/20 0.33
MAPT P10636 1/20 0.33
CREBBP Q92793 1/20 0.33
TYMS P04818 1/20 0.32
TTR P02766 1/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
BCHE P06276 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CDC25B P30305 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL4222147 0.91 ALB (0.47) ALBPSMB5PSMB8MAOBNR4A1
SCHEMBL13964510 0.78 PSMB5 (0.34) PSMB5PSMB8MAPTCREBBPCES2
SCHEMBL29853275 0.71 MAOB (0.49) MAOBNR4A1NR4A2NR4A3GPR35
SCHEMBL2729243 0.71 MAOB (0.49) MAOBNR4A1NR4A2NR4A3GPR35
SCHEMBL4007022 0.71 TSHR (0.48) PSMB5PSMB8MAOBNR4A1NR4A2
SCHEMBL23360189 0.71 MCL1 (0.51) PSMB5PSMB8MAOBNR4A1NR4A2
SCHEMBL31491647 0.71 ALB (0.47) ALBPSMB5PSMB8MAOBNR4A1
SCHEMBL29862590 0.68 CES2 (0.37) ALBMAOBGPR35MAPTCREBBP
SCHEMBL23360431 0.68 CES2 (0.37) ALBMAOBGPR35MAPTCREBBP
SCHEMBL7948373 0.68 ALDH1A1 (0.51) PSMB5PSMB8MAOBMAPTNPC1

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
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
EP-1463728-A4 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2005-12-21 EP disclosed
EP-1463728-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-10-06 EP disclosed
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-22 US disclosed
WO-2003053354-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US disclosed
EP-1299385-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-04-09 EP disclosed
WO-2002000653-A2 FUSED CYCLIC COMPOUNDS AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-03 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 (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-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 ALB 4689/4885PSMB5 1146/4885PSMB8 975/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 ALB 4689/4885PSMB5 1146/4885PSMB8 975/4885

“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.