SCHEMBL21660404

SCHEMBL21660404

CNc1noc2cccc(C(F)(F)F)c12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.49
KCNA5 P22460 4/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
RECQL P46063 1/20 0.38
KIT P10721 2/20 0.37
KDR P35968 2/20 0.37
FLT3 P36888 2/20 0.37
PTPN1 P18031 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
SCHEMBL21609072 0.75 KDR (0.50) EPHX2KITKDRFLT3
SCHEMBL21660472 0.75 KCNA5 (0.37) EPHX2KCNA5KITKDRFLT3
SCHEMBL1782414 0.72 KCNA5 (0.58) KCNA5
SCHEMBL1784179 0.69 SGMS2 (0.46) KCNA5
SCHEMBL11450556 0.66 EPHX2 (0.54) EPHX2KCNA5
SCHEMBL30298447 0.66 EPHX2 (0.54) EPHX2KCNA5
SCHEMBL6990623 0.66 FAAH (0.36) EPHX2KCNA5KITKDRFLT3
SCHEMBL23064307 0.66 EPHX2 (0.45) EPHX2HSD17B10
SCHEMBL2305521 0.65 CYP2C19 (0.49) EPHX2CYP2D6CYP2C19ALDH1A1CYP3A4
SCHEMBL12426072 0.65 SGMS2 (0.39) EPHX2KCNA5KITKDRFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039945-A1 Compounds CTXT PTY LIMITED (AU) 2020-02-06 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 (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-20200039945-A1 Compounds SLC10A1, ABCB11, PCSK9 EPHX2 2460/4885KCNA5 674/4885CYP2D6 59/4885

“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.