SCHEMBL6249574

SCHEMBL6249574

O=CN(c1ccc(C(F)(F)F)c(F)c1)c1ncc(-c2ccccc2)s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC4 P56524 1/20 0.39
KIF11 P52732 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
CYP11B1 P15538 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
USP30 Q70CQ3 2/20 0.33
WNT3A P56704 1/20 0.33
GSTO1 P78417 1/20 0.32
HDAC1 Q13547 1/20 0.32
FAAH O00519 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL6227088 0.79 KDR (0.35) LOXL2USP30GSTO1FEN1HSD17B1
SCHEMBL6254123 0.79 NTRK1 (0.38) HDAC6HDAC4LOXL2ALOX5APFEN1
SCHEMBL6249949 0.75 ALOX5 (0.38) LOXL2USP30GSTO1FEN1HSD17B1
SCHEMBL6254052 0.75 TP53 (0.37) HDAC6HDAC4LOXL2USP30GSTO1
SCHEMBL6253166 0.73 USP30 (0.40) USP30GSTO1FEN1
SCHEMBL6254064 0.69 KDR (0.39) HDAC6HDAC4USP30GSTO1FEN1
SCHEMBL6247675 0.67 HSD17B1 (0.35) LOXL2USP30GSTO1HDAC1FEN1
SCHEMBL6227649 0.66 USP30 (0.46) LOXL2USP30GSTO1FEN1
SCHEMBL6252715 0.65 SLC6A2 (0.38) HDAC1HSD17B1HSD17B2
SCHEMBL16009615 0.64 MRGPRX1 (0.35)

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 CYP11B2 377/4885HDAC6 2085/4885HDAC4 2009/4885

“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.