SCHEMBL2085239

SCHEMBL2085239

CCCCCNC(=O)N(C)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
LMNA P02545 3/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TP53BP1 Q12888 1/20 0.43
MGLL Q99685 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2083250 0.99 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C19L3MBTL1MTNR1A
SCHEMBL2085846 0.84 LMNA (0.45) CYP1A2CYP2D6CYP2C19L3MBTL1MTNR1A
SCHEMBL2085400 0.83 MTNR1A (0.46) CYP1A2CYP2D6CYP2C19L3MBTL1MTNR1A
SCHEMBL4133101 0.83 NAAA (0.43) NPC1ALDH1A1RAB9ASMN1; SMN2NAAA
SCHEMBL3210607 0.82 NAAA (0.49) NPC1ALDH1A1RAB9ANAAA
SCHEMBL2086284 0.82 LPL (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2NAAA
SCHEMBL4137357 0.81 NAAA (0.58) NPC1ALDH1A1RAB9AHPGDNAAA
SCHEMBL2085864 0.81 LPL (0.47) NPC1ALDH1A1RAB9ASMN1; SMN2NAAA
SCHEMBL2314191 0.78 MTNR1A (0.46) L3MBTL1MTNR1AMTNR1BLMNATMEM97
SCHEMBL2086793 0.78 LPL (0.49) NPC1ALDH1A1RAB9ANAAA

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
US-8383652-B2 Biaromatic compounds that modulate PPAR-receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-26 US disclosed
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US disclosed
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 US disclosed
EP-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP disclosed
EP-1943213-A2 PPAR MODULATING BIAROMATIC COMPOUNDS Galderma Research & Development (FR) 2008-07-16 EP disclosed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 US disclosed
EP-1781297-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP disclosed
WO-2007049158-A2 PPAR MODULATING BIAROMATIC COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-03 WO disclosed
WO-2006018326-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-23 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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD CYP1A2 200/4885CYP2D6 701/4885CYP2C19 248/4885
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS PPARG, PPARD, PPARA CYP1A2 126/4885CYP2D6 301/4885CYP2C19 122/4885

“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.