SCHEMBL6228985

SCHEMBL6228985

O=CN(c1ccc(OC(F)(F)F)cc1)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.36
SCN3A Q9NY46 1/20 0.35
NTRK1 P04629 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NISCH Q9Y2I1 1/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MAOB P27338 1/20 0.33
AOC3 Q16853 1/20 0.33
RAF1 P04049 1/20 0.33
LCK P06239 1/20 0.33
RET P07949 1/20 0.33
CYP3A4 P08684 1/20 0.33
KIT P10721 1/20 0.33
KDR P35968 1/20 0.33
MAP3K20 Q9NYL2 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
CHRM5 P08912 1/20 0.33
MMP1 P03956 1/20 0.33

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
SCHEMBL6251789 0.82 FBP1 (0.42) SCN3ARAB9ACYP3A4L3MBTL1
SCHEMBL9280655 0.76 PDPK1 (0.39) NPC1RAB9APIM1
SCHEMBL2188146 0.69 TRPM8 (0.48) KCNA5NTRK1NPC1RAB9AMAOB
SCHEMBL6251427 0.69 ALDH1A1 (0.43) CYP3A4
SCHEMBL6334008 0.68 MEN1 (0.38) NPC1NISCHMMP2MMP9PIM1
SCHEMBL468075 0.67 PDPK1 (0.52) NTRK1NPC1RAB9ANISCHCASP3
SCHEMBL29268186 0.66 EPHX2 (0.41) NISCHMMP2MMP9MAOBAOC3
SCHEMBL28308906 0.66 TRPM8 (0.33)
SCHEMBL22421221 0.64 PIM1 (0.39) NISCHMMP2MMP9MMP1PIM1
SCHEMBL18003250 0.63 MAPT (0.40) NPC1RAB9AKDRPIM1L3MBTL1

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
US-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 KCNA5 2238/4885SCN3A 1912/4885NTRK1 4599/4885

“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.