SCHEMBL3596698

SCHEMBL3596698

Cc1cc(NCc2ccc(C(F)(F)F)cc2)cc(C)c1NC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.55
FFAR1 O14842 1/20 0.54
ADRA2A P08913 1/20 0.49
CRHR1 P34998 2/20 0.48
TRPA1 O75762 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
ASPH Q12797 2/20 0.46
KDM8 Q8N371 2/20 0.46
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
KCNQ4 P56696 1/20 0.46
KCNQ5 Q9NR82 1/20 0.46
KDM4E B2RXH2 1/20 0.45
RIOX2 Q8IUF8 1/20 0.45
MTOR P42345 1/20 0.45
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL3099035 0.91 PPARA (0.51) PPARAFFAR1ADRA2ACRHR1TRPA1
SCHEMBL3247396 0.90 FFAR1 (0.56) PPARAFFAR1CRHR1TRPA1PTGDR2
SCHEMBL3112934 0.83 KCNQ2 (0.52) PPARAFFAR1ADRA2ACRHR1TRPA1
SCHEMBL3094660 0.82 RAB9A (0.49) PPARAFFAR1ADRA2ACRHR1ALDH1A1
SCHEMBL30796155 0.81 ADRA2A (0.48) PPARAFFAR1ADRA2ACRHR1KCNQ3
SCHEMBL3112550 0.81 FFAR1 (0.51) PPARAFFAR1ADRA2ACRHR1PTGDR2
SCHEMBL30795257 0.79 KCNQ2 (0.60) PPARAFFAR1ADRA2ACRHR1KCNQ3
SCHEMBL3089700 0.79 KCNQ2 (0.60) PPARAFFAR1ADRA2ACRHR1KCNQ3
SCHEMBL3112562 0.79 ADRA2A (0.51) PPARAFFAR1ADRA2ACRHR1KCNQ3
SCHEMBL19690431 0.78 FFAR1 (0.58) PPARAFFAR1ADRA2ATRPA1PTGDR2

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-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
CN-101056845-A Substituted aniline derivatives LUNDBECK & CO AS H (DK) 2007-10-17 CN 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-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES NDUFS3, NAT1, PRMT3 PPARA 3106/4885FFAR1 1653/4885ADRA2A 180/4885

“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.