SCHEMBL1400734

SCHEMBL1400734

O=C(O)NCc1cccc(-c2cnc(Br)nc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.50
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
SRC P12931 2/20 0.45
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
JAK2 O60674 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
PRKCG P05129 1/20 0.44
CDK1 P06493 1/20 0.44
FES P07332 1/20 0.44
RET P07949 1/20 0.44

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
SCHEMBL14993716 0.86 AOC3 (0.50) AOC3CYP4F2CYP4A11CYP1A2CYP2D6
SCHEMBL16965275 0.85 AOC3 (0.47) AOC3CYP4F2CYP4A11CYP1A2CYP2D6
SCHEMBL22501594 0.82 AOC3 (0.52) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL26985637 0.81 CYP4F2 (0.50) AOC3CYP4F2CYP4A11CYP1A2CYP2D6
SCHEMBL3693496 0.80 HPGDS (0.50) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL21904823 0.79 AOC3 (0.46) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL16396868 0.79 AOC3 (0.58) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL22501576 0.78 EPHX2 (0.64) AOC3CYP1A2CYP2C9CYP2C19AXL
SCHEMBL22501724 0.78 HPGDS (0.50) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL22501609 0.78 PRMT6 (0.62) AOC3CYP2D6CYP2C9MAP4K4PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513297-B2 Biaromatic compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-08-20 US disclosed
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-05-17 US disclosed
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed
EP-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP disclosed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 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 (1 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-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA AOC3 2063/4885CYP4F2 427/4885CYP4A11 257/4885

“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.