SCHEMBL15077882

SCHEMBL15077882

COc1c(N2CC[C@H](C)C2)c(F)cc2c(=O)c3c(O)c(C(C)=O)sc3n(C3CC3)c12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
KCNH2 Q12809 3/20 0.45
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
PRKD3 O94806 1/20 0.45
ALOX15 P16050 1/20 0.45
OPRM1 P35372 1/20 0.45
CLK2 P49760 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL15053620 0.91 TOP1 (0.47) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL15053615 0.91 TOP1 (0.47) KDM4EKCNH2HPGDALDH1A1POLB
Hydrochloric Acid SCHEMBL15054190 0.90 TOP1 (0.47) KDM4EKCNH2HPGDALDH1A1POLB
Hydrochloric Acid SCHEMBL15054187 0.90 TOP1 (0.47) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL537063 0.90 KCNH2 (0.45) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL15052745 0.89 KCNH2 (0.59) KCNH2
SCHEMBL15052748 0.89 KCNH2 (0.59) KCNH2
SCHEMBL15052961 0.89 KCNH2 (0.42) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL537045 0.89 KCNH2 (0.59) KCNH2
SCHEMBL15052962 0.89 KCNH2 (0.42) KDM4EKCNH2HPGDALDH1A1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165471-A1 2-SUBSTITUTED-THIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC. (US) 2013-06-27 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 (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-20130165471-A1 2-SUBSTITUTED-THIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS RECQL, DDX5, QTRT2 KDM4E 2305/4885KCNH2 1892/4885HPGD 2099/4885

“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.