SCHEMBL3693496

SCHEMBL3693496

O=C(O)NCc1cccc(-c2ccc(Br)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.50
SENP1 Q9P0U3 2/20 0.44
AOC3 Q16853 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.42
WNT3A P56704 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CFD P00746 1/20 0.40
SRC P12931 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2216638 0.83 HPGDS (0.49) HPGDSAOC3CYP1A2CYP2D6CYP2C9
SCHEMBL22501619 0.80 FFAR1 (0.53) HPGDSAOC3CYP1A2CYP2D6CYP2C9
SCHEMBL1400734 0.80 AOC3 (0.50) HPGDSSENP1AOC3CYP1A2CYP2D6
SCHEMBL15132640 0.79 FYN (0.52)
SCHEMBL22501673 0.77 PIM2 (0.52) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL16965183 0.76 SYK (0.45) HPGDSAOC3CYP1A2CYP2D6CYP2C9
SCHEMBL68545 0.76 CHEK1 (0.47) LMNASMN1; SMN2CFDKMT2AL3MBTL1
SCHEMBL27859597 0.76 HSD17B1 (0.39) LMNASMN1; SMN2KMT2AL3MBTL1
SCHEMBL21904823 0.75 AOC3 (0.46) HPGDSAOC3CYP1A2CYP2D6CYP2C9
SCHEMBL1750050 0.75 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C9TSHRCYP2C19

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 2 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

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 HPGDS 429/4885SENP1 4221/4885AOC3 2063/4885

“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.