SCHEMBL7542864

SCHEMBL7542864

O=C(O)C1=CNc2ccc(F)cc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PDPK1 O15530 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
APEX1 P27695 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC3 O15379 1/20 0.34
HTR5A P47898 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
CA12 O43570 1/20 0.33
ALPL P05186 1/20 0.33
RPA1 P27694 1/20 0.33

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
SCHEMBL218818 0.76 MAPT (0.43) KDM4EALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL30298128 0.76 MAPT (0.43) KDM4EALDH1A1TSHRHSD17B10CYP1A2
Dimethylcarbate SCHEMBL5668096 0.69 MAPT (0.37) KDM4EALDH1A1TSHRHSD17B10HTR5A
SCHEMBL27461755 0.66 GAA (0.60) KDM4EALDH1A1TSHRHTR5A
SCHEMBL27303285 0.66 GAA (0.60) KDM4EALDH1A1TSHRHTR5A
SCHEMBL152963 0.65 AHR (0.61) HDAC3HTR5ACYP1A2
SCHEMBL949200 0.65 NOTUM (0.38) KEAP1KDM4EPDPK1ALDH1A1LMNA
SCHEMBL14472468 0.64 KDM4E (0.34) KEAP1KDM4EPDPK1ALDH1A1LMNA
SCHEMBL30319870 0.63 MAOB (0.43) CYP2C19HDAC3HTR5ACYP1A2CA12
SCHEMBL7280521 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KEAP1 186/4885KDM4E 1113/4885PDPK1 985/4885

“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.