SCHEMBL312663

SCHEMBL312663

CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CC)c3c2F)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.70
HSD17B10 Q99714 6/20 0.68
ALDH1A1 P00352 6/20 0.68
HPGD P15428 6/20 0.68
PMP22 Q01453 1/20 0.67
DRD3 P35462 1/20 0.55
LMNA P02545 3/20 0.54
MAPT P10636 1/20 0.54
BRD4 O60885 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
CYP2J2 P51589 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 1/20 0.51
ADRA2B P18089 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C9 P11712 1/20 0.50
ATP6V1B2 P21281 1/20 0.50

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
SCHEMBL11182346 0.92 KDM4E (0.68) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL312380 0.91 KDM4E (0.84) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL10739914 0.91 KDM4E (0.70) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL11185030 0.91 KDM4E (0.71) KDM4EHSD17B10ALDH1A1HPGDPMP22
Hydrochloric Acid SCHEMBL10738181 0.90 KDM4E (0.69) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL11186039 0.90 KDM4E (0.63) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL10670256 0.88 KDM4E (0.60) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL312379 0.88 KDM4E (0.76) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL311638 0.88 KDM4E (0.67) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL312293 0.88 KDM4E (0.67) KDM4EHSD17B10ALDH1A1HPGDPMP22

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-8093381-B2 Method of synthesis of fluoroquinolones BIOCODEX (FR) 2012-01-10 US disclosed
US-20090054643-A1 NOVEL METHOD OF SYNTHESIS OF FLUOROQUINOLONES BIOCODEX (FR) 2009-02-26 US disclosed
US-4398029-A BACTERICIDES KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1983-08-09 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-20090054643-A1 NOVEL METHOD OF SYNTHESIS OF FLUOROQUINOLONES NQO2, Q6ZSR9, QARS1 KDM4E 2435/4885HSD17B10 1768/4885ALDH1A1 3146/4885

“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.