SCHEMBL312186

SCHEMBL312186

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCO)c3c2F)CC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.86
ADRA2B P18089 1/20 0.59
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 7/20 0.58
HPGD P15428 7/20 0.58
HSD17B10 Q99714 6/20 0.58
DRD3 P35462 1/20 0.57
ALB P02768 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
TUBB4A P04350 1/20 0.56
POLB P06746 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56
TUBB2A Q13885 1/20 0.56
TUBB8 Q3ZCM7 1/20 0.56
TUBA3E Q6PEY2 1/20 0.56

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
Fleroxacin SCHEMBL29377022 0.92 KDM4E (1.00) KDM4EADRA2BMAPK1ALDH1A1HPGD
Fleroxacin SCHEMBL48145 0.92 KDM4E (1.00) KDM4EADRA2BMAPK1ALDH1A1HPGD
Fleroxacin SCHEMBL9745354 0.91 KDM4E (0.98) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL21783262 0.91 KDM4E (0.86) KDM4EADRA2BMAPK1ALDH1A1HPGD
Fleroxacin SCHEMBL11193870 0.91 KDM4E (0.98) KDM4EADRA2BMAPK1ALDH1A1HPGD
Fleroxacin SCHEMBL9745337 0.91 KDM4E (0.98) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL9636841 0.91 KDM4E (0.71) KDM4EADRA2BMAPK1ALDH1A1HPGD
Fleroxacin SCHEMBL29114441 0.90 KDM4E (0.96) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL312380 0.90 KDM4E (0.84) KDM4EADRA2BMAPK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL11187784 0.89 KDM4E (0.68) KDM4EADRA2BMAPK1ALDH1A1HPGD

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-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

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 2435/4885ADRA2B 1209/4885MAPK1 2910/4885

“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.