SCHEMBL9989279

SCHEMBL9989279

COc1cc(C(F)(F)F)ccc1-c1cccc2c(CC#N)cccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.46
SCN5A Q14524 3/20 0.41
CETP P11597 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
CRHR1 P34998 3/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTSA P10619 1/20 0.36

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
SCHEMBL9988726 0.86 SCN9A (0.48) SCN9ASCN5ACETPGAAMAPT
SCHEMBL9989148 0.82 SCN9A (0.46) SCN9ASCN5ACETPGAAMAPT
SCHEMBL9989290 0.79 SCN9A (0.50) SCN9ASCN5ACETP
SCHEMBL12074235 0.79 SCN9A (0.43) SCN9ASCN5ACETPGAAMAPT
SCHEMBL12074084 0.77 SCN9A (0.42) SCN9ASCN5ACETPGAAMAPT
SCHEMBL12074936 0.76 KIF11 (0.42) MAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL8858519 0.75 IMPDH2 (0.47) MAPTKDM4ESMN1; SMN2NPSR1HSD17B10
SCHEMBL31331829 0.75 IMPDH2 (0.47) MAPTKDM4ESMN1; SMN2NPSR1HSD17B10
SCHEMBL14904082 0.73 SCN9A (0.41) SCN9ASCN5ACETPGAAMAPT
SCHEMBL14906884 0.71 SCN9A (0.41) SCN9ASCN5ACETPGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 WO disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 SCN9A 2597/4885SCN5A 3135/4885CETP 3579/4885

“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.