SCHEMBL2929696

SCHEMBL2929696

CCCCCc1cc(CN)[nH]c1CCCCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 13/20 0.39
KMT2A Q03164 2/20 0.37
HTR2A P28223 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
TYR P14679 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TLR8 Q9NR97 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL891281 0.87 GPR84 (0.49) GPR84KMT2APARP1
SCHEMBL891178 0.85 GPR84 (0.51) GPR84KMT2AMEN1TP53CYP3A4
SCHEMBL891065 0.85 GPR84 (0.51) GPR84KMT2AMEN1TP53CYP3A4
SCHEMBL891164 0.85 GPR84 (0.51) GPR84KMT2AMEN1TP53CYP3A4
SCHEMBL891076 0.81 DAO (0.44) GPR84KMT2ATYR
SCHEMBL1127503 0.71 SIRT1 (0.39) GPR84KMT2AMEN1MAPTHTT
SCHEMBL11057529 0.70 HIF1A (0.50) GPR84KMT2AMEN1TP53CYP3A4
SCHEMBL9015231 0.70 PTGS2 (0.35) GPR84KMT2AMEN1TP53CYP3A4
SCHEMBL11040456 0.67 KMT2A (0.32) GPR84KMT2AMEN1TP53CYP3A4
SCHEMBL11300744 0.67 KMT2A (0.33) GPR84KMT2AHTR2AMEN1TP53

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
EP-1899298-B1 DERIVATIVES OF 4,5-DIARYLPYRROLE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-08-18 EP disclosed
US-7618995-B2 Derivatives of 4,5-diarylpyrrole, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-11-17 US disclosed
US-20080176924-A1 antiinflammatory agents; cannabinoid receptor modulators; obesity; antagonists; N-((5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-1H-pyrrol-2-yl)methyl)-4-(trifluoromethyl)benzamide SANOFI-AVENTIS (FR) 2008-07-24 US disclosed
EP-1899298-A2 DERIVATIVES OF 4,5-DIARYLPYRROLE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2008-03-19 EP disclosed
WO-2007000505-A2 DERIVATIVES OF 4,5-DIARYLPYRROLE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-01-04 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-20080176924-A1 antiinflammatory agents; cannabinoid receptor modulators; obesity; antagonists; N-((5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-1H-pyrrol-2-yl)methyl)-4-(trifluoromethyl)benzamide CNR1, CNR2, GPR119 GPR84 66/4885KMT2A 997/4885HTR2A 232/4885

“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.