SCHEMBL536995

SCHEMBL536995

COc1c(N2CCC(C(C)(C)N)C2)c(F)cc2c(=O)c(C(=O)O)c(S(C)(=O)=O)n(C3CC3)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.46
PRKD3 O94806 1/20 0.46
ALOX15 P16050 1/20 0.46
OPRM1 P35372 1/20 0.46
CLK2 P49760 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PIM1 P11309 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
PIM3 Q86V86 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43
LMNA P02545 1/20 0.42
TOP1 P11387 5/20 0.42
MEN1 O00255 1/20 0.40

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
SCHEMBL729608 0.91 KCNH2 (0.45) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL729609 0.91 KCNH2 (0.45) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL15053426 0.85 KCNH2 (0.44) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL727962 0.83 KCNH2 (0.38) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL727961 0.83 KCNH2 (0.38) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL2674322 0.80 KCNH2 (0.48) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL728232 0.79 KCNH2 (0.46) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL728233 0.79 KCNH2 (0.46) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8568550 0.79 KCNH2 (0.75) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8568549 0.79 KCNH2 (0.75) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414368-B1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2013-11-27 EP disclosed
US-8173636-B2 Hydroxylthienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
EP-2414368-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2012-02-08 EP disclosed
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
WO-2010115184-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 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-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS RECQL, QTRT2, DHX35 KCNH2 2021/4885KDM4E 2296/4885HPGD 1001/4885

“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.