SCHEMBL6472075

SCHEMBL6472075

COc1c(N2CC(CO)C3(CC3)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.65
KDM4E B2RXH2 9/20 0.63
HPGD P15428 4/20 0.63
ALDH1A1 P00352 4/20 0.63
HSD17B10 Q99714 2/20 0.63
POLB P06746 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
PRKD3 O94806 1/20 0.63
ALOX15 P16050 1/20 0.63
OPRM1 P35372 1/20 0.63
CLK2 P49760 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 2/20 0.58
NPSR1 Q6W5P4 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ATM Q13315 1/20 0.53
GSK3B P49841 2/20 0.51

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
SCHEMBL6475597 0.90 KCNH2 (0.64) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL6504574 0.88 KCNH2 (0.67) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8775600 0.87 KCNH2 (0.54) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL6480467 0.87 ALDH1A1 (0.64) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8775427 0.87 KCNH2 (0.54) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL6473929 0.87 KCNH2 (0.72) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8775582 0.86 KCNH2 (0.53) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL3975860 0.85 KCNH2 (0.67) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL6458734 0.85 KDM4E (0.75) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL6371336 0.84 KCNH2 (0.69) KCNH2KDM4EHPGDALDH1A1HSD17B10

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-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 US claimed
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 US disclosed
WO-2005026165-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
US-20050010048-A1 Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors ZHUANG LINGHANG (US) 2005-01-13 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 (2 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-20050010048-A1 Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors POLI, CYP51A1, DUT KCNH2 2228/4885KDM4E 140/4885HPGD 509/4885
US-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 KCNH2 2108/4885KDM4E 4453/4885HPGD 184/4885

“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.