SCHEMBL8501918

SCHEMBL8501918

COc1c(N2CCCC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.75
KCNH2 Q12809 5/20 0.75
ALDH1A1 P00352 5/20 0.75
HPGD P15428 4/20 0.75
POLB P06746 3/20 0.75
HSD17B10 Q99714 2/20 0.75
TDP1 Q9NUW8 2/20 0.75
OPRM1 P35372 2/20 0.75
PRKD3 O94806 1/20 0.75
ALOX15 P16050 1/20 0.75
CLK2 P49760 1/20 0.75
CLK4 Q9HAZ1 1/20 0.75
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
LMNA P02545 2/20 0.67
CYP2C19 P33261 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
NPSR1 Q6W5P4 1/20 0.60
ATM Q13315 1/20 0.58
GSK3B P49841 1/20 0.57

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
SCHEMBL8526816 0.99 KDM4E (0.74) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL9773711 0.93 KCNH2 (0.75) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL9372290 0.92 KDM4E (0.73) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL1155028 0.92 KCNH2 (0.73) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL11975675 0.92 KDM4E (0.81) KDM4EKCNH2ALDH1A1HPGDPOLB
Water SCHEMBL9773705 0.92 KDM4E (0.67) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL9773833 0.92 KDM4E (0.75) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL9773896 0.91 KDM4E (0.75) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL5571237 0.91 KCNH2 (0.76) KDM4EKCNH2ALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL9773837 0.91 KDM4E (0.71) KDM4EKCNH2ALDH1A1HPGDPOLB

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-7902227-B2 C-7 isoxazolinyl quinolone / naphthyridine derivatives useful as antibacterial agents JANSSEN PHARMACEUTICA NV. (BE) 2011-03-08 US disclosed
US-20090029980-A1 C-7 Isoxazolinyl Quinolone / Naphthyridine Derivatives Useful as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-29 US disclosed
US-5869661-A CONDENSING A 6-FLUOROQUINOLONECARBOXYLIC ACID WITH A SATURATED HETEROCYCLIC AMINE WITH OR WITHOUT A SOLVENT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-02-09 US disclosed
EP-0641782-A1 PROCESS FOR PRODUCING QUINOLONECARBOXYLIC ACID DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1995-03-08 EP 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-20090029980-A1 C-7 Isoxazolinyl Quinolone / Naphthyridine Derivatives Useful as Antibacterial Agents CASP7, CYP3A7, NQO2 KDM4E 3311/4885KCNH2 1777/4885ALDH1A1 2634/4885

“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.