SCHEMBL6254064

SCHEMBL6254064

O=CN(c1ccno1)c1ncc(-c2ccccc2)s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.39
GSTO1 P78417 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
USP30 Q70CQ3 4/20 0.34
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
UCHL1 P09936 1/20 0.33
HTR7 P34969 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK5 Q00535 1/20 0.32
SCD O00767 1/20 0.32

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
SCHEMBL6254052 0.73 TP53 (0.37) KDRGSTO1ERCC5FEN1USP30
SCHEMBL6227088 0.72 KDR (0.35) KDRGSTO1ERCC5FEN1USP30
SCHEMBL6247675 0.72 HSD17B1 (0.35) KDRGSTO1ERCC5FEN1USP30
SCHEMBL6249949 0.71 ALOX5 (0.38) KDRGSTO1ERCC5FEN1USP30
SCHEMBL6253166 0.71 USP30 (0.40) KDRGSTO1ERCC5FEN1USP30
SCHEMBL6254123 0.70 NTRK1 (0.38) KDRFEN1HDAC4HDAC6
SCHEMBL6249574 0.69 CYP11B2 (0.39) GSTO1FEN1USP30HDAC4HDAC6
SCHEMBL6254381 0.68 PTGS1 (0.47) HPGDHSD17B10
SCHEMBL6227649 0.68 USP30 (0.46) KDRGSTO1ERCC5FEN1USP30
SCHEMBL980817 0.66 HTR7 (0.50) KDRERCC5FEN1USP30UCHL1

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 KDR 3321/4885GSTO1 374/4885ERCC5 2601/4885

“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.