SCHEMBL7541168

SCHEMBL7541168

COc1ccc(C(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc([N+](=O)[O-])cc3F)CC2)=NO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
KDM4E B2RXH2 4/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
PIK3CG P48736 4/20 0.47
PIK3CD O00329 3/20 0.47
PIK3R1 P27986 3/20 0.47
PIK3CA P42336 3/20 0.47
LMNA P02545 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TOP1 P11387 1/20 0.43
THRB P10828 2/20 0.43
DRD3 P35462 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7541161 1.00 TDP1 (0.51) TDP1KDM4EKMT2AATMPIK3CG
SCHEMBL7539661 0.92 TDP1 (0.51) TDP1KDM4EKMT2AATMPIK3CG
SCHEMBL7541377 0.84 TDP1 (0.70) TDP1KDM4EKMT2AATMPIK3CG
SCHEMBL7541368 0.84 TDP1 (0.70) TDP1KDM4EKMT2AATMPIK3CG
SCHEMBL7539643 0.80 TDP1 (0.54) TDP1KDM4EKMT2AATMPIK3CG
SCHEMBL7541902 0.77 TDP1 (0.69) TDP1KDM4EKMT2AATMPIK3CG
SCHEMBL7541894 0.77 TDP1 (0.69) TDP1KDM4EKMT2AATMPIK3CG
SCHEMBL7545190 0.77 ALDH1A1 (0.66) KDM4EKMT2APIK3CGPIK3CDPIK3R1
SCHEMBL7538965 0.76 KDM4E (0.68) TDP1KDM4EKMT2APIK3CGPIK3CD
SCHEMBL7538969 0.76 KDM4E (0.68) TDP1KDM4EKMT2APIK3CGPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020061895-A1 6-fluoro-1,4-dihydro-7-[4-(2-hydroxyiminoethyl)-1-piperazinyl]-4-oxoquinoline-3-carboxylic acid derivatives, their preparation and pharmaceutical compositions PHARMACEUTICAL INDUSTRY TECHNOLOGY 2002-05-23 US claimed
US-6492373-B2 FOR TREATMENT OF BACTERIAL INFECTIONS AND/OR RENAL CANCER DISEASES PHARMACEUTICAL INDUSTRY TECHNOLOGY AND DEVELOPMENT CENTER (TW) 2002-12-10 US disclosed
US-20020061895-A1 6-fluoro-1,4-dihydro-7-[4-(2-hydroxyiminoethyl)-1-piperazinyl]-4-oxoquinoline-3-carboxylic acid derivatives, their preparation and pharmaceutical compositions PHARMACEUTICAL INDUSTRY TECHNOLOGY 2002-05-23 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-20020061895-A1 6-fluoro-1,4-dihydro-7-[4-(2-hydroxyiminoethyl)-1-piperazinyl]-4-oxoquinoline-3-carboxylic acid derivatives, their preparation and pharmaceutical compositions ATP6V1B1, GLS, RCC2 TDP1 4697/4885KDM4E 1113/4885KMT2A 1056/4885

“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.