SCHEMBL2854480

SCHEMBL2854480

NC(=O)C(Cc1ccc(Cl)c(Cl)c1)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
PNMT P11086 1/20 0.44
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NAMPT P43490 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPK1 P28482 2/20 0.39
CHEK1 O14757 1/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39

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
SCHEMBL6004995 0.87 PNMT (0.41) PNMTCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL2857169 0.84 RAB9A (0.47) EPHX1CYP3A4CYP2D6NAMPTSLC6A2
SCHEMBL20473308 0.77 PNMT (0.54) PNMTCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL2856155 0.77 NPSR1 (0.48) EPHX1PNMTCYP2D6CYP2C19AKT1
SCHEMBL5177984 0.75 PNMT (0.42) EPHX1PNMTSLC6A2SLC6A4SLC6A3
SCHEMBL5175289 0.74 EPHX1 (0.50) EPHX1TSHR
SCHEMBL28622582 0.74 EPHX1 (0.66) EPHX1KMT2AMEN1IDO1
SCHEMBL29609086 0.74 EPHX1 (0.66) EPHX1KMT2AMEN1IDO1
SCHEMBL12323853 0.73 PNMT (0.58) PNMTAKT1AKT2AKT3KMT2A
SCHEMBL8126980 0.73 PNMT (0.58) PNMTAKT1AKT2AKT3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 EPHX1 2814/4885PNMT 704/4885CYP3A4 2035/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 EPHX1 2814/4885PNMT 704/4885CYP3A4 2035/4885

“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.