SCHEMBL4298980

SCHEMBL4298980

C[C@@H]1NCCn2cc(-c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.50
TOP2B Q02880 8/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KCNH2 Q12809 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 1/20 0.49
PRKD3 O94806 1/20 0.49
ALOX15 P16050 1/20 0.49
OPRM1 P35372 1/20 0.49
CLK2 P49760 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
DPP4 P27487 6/20 0.45
CHRM2 P08172 1/20 0.43
DRD1 P21728 1/20 0.43

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
SCHEMBL4296126 1.00 TOP2A (0.50) TOP2ATOP2BKDM4EALDH1A1KCNH2
SCHEMBL4302588 0.83 KDM4E (0.55) TOP2ATOP2BKDM4EALDH1A1KCNH2
SCHEMBL4302221 0.83 KDM4E (0.55) TOP2ATOP2BKDM4EALDH1A1KCNH2
SCHEMBL4300303 0.83 KDM4E (0.55) TOP2ATOP2BKDM4EALDH1A1KCNH2
SCHEMBL4299309 0.83 KMT2A (0.53) TOP2ATOP2BKDM4EALDH1A1KCNH2
SCHEMBL4300313 0.83 KMT2A (0.53) TOP2ATOP2BKDM4EALDH1A1KCNH2
SCHEMBL4296120 0.82 KDM4E (0.48) TOP2ATOP2BKDM4EALDH1A1KCNH2
SCHEMBL4305711 0.80 KDM4E (0.63) TOP2ATOP2BKDM4EALDH1A1KCNH2
SCHEMBL4293986 0.80 KDM4E (0.63) TOP2ATOP2BKDM4EALDH1A1KCNH2
SCHEMBL4293984 0.80 KDM4E (0.63) TOP2ATOP2BKDM4EALDH1A1KCNH2

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
US-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US claimed
WO-2009131973-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 WO claimed
US-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
US-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
WO-2009131973-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 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-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS NQO2, QARS1, NQO1 TOP2A 65/4885TOP2B 155/4885KDM4E 2817/4885

“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.