SCHEMBL312380

SCHEMBL312380

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)c(F)c21

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.84
ALDH1A1 P00352 8/20 0.68
HPGD P15428 7/20 0.68
HSD17B10 Q99714 7/20 0.68
PMP22 Q01453 1/20 0.67
DRD3 P35462 1/20 0.67
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
KMT2A Q03164 1/20 0.61
ADRA2B P18089 1/20 0.60
MAPK1 P28482 1/20 0.60
ALB P02768 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
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

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
SCHEMBL21783262 0.92 KDM4E (0.86) KDM4EALDH1A1HPGDHSD17B10PMP22
Fleroxacin SCHEMBL29377022 0.91 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL312663 0.91 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10739914 0.91 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10PMP22
Fleroxacin SCHEMBL48145 0.91 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL11185030 0.91 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10PMP22
Fleroxacin SCHEMBL9745354 0.90 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10PMP22
Fleroxacin SCHEMBL11193870 0.90 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10PMP22
Fleroxacin SCHEMBL9745337 0.90 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL312186 0.90 KDM4E (0.86) KDM4EALDH1A1HPGDHSD17B10PMP22

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 11 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
EP-2138490-B1 New method for synthesis of fluoroquinolones BIOCODEX (FR) 2011-08-31 EP disclosed
US-20090054643-A1 NOVEL METHOD OF SYNTHESIS OF FLUOROQUINOLONES BIOCODEX (FR) 2009-02-26 US disclosed
EP-0828715-B1 N-OXIDES AS ANTIBACTERIAL AGENTS BAYER AG (DE) 2001-08-16 EP disclosed
US-6114351-A N-oxides as antibacterial agents BAYER AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
US-5210193-A Bactericide AMERICAN CYANAMID COMPANY (US) 1993-05-11 US disclosed
US-4940710-A 7-(substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-10 US disclosed
EP-0205029-A2 Quinolinecarboxylic acids with an antibacterial activity BAYER AG (DE) 1986-12-17 EP disclosed
EP-0115049-B1 1-ETHYL-6,8-DIFLUORO-1,4-DIHYDRO-7-(1-IMIDAZOLYL)-4-OXOQUINOLINE-3-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR PREPARING THE SAME AND ANTI-MICROBIAL COMPOSITIONS KANEBO, LTD. (JP) 1986-09-10 EP disclosed
US-4530930-A Antimicrobial 1-ethyl-6,8-difluoro-1,4-dihydro-7-(1-imidazolyl)-4-oxoquinoline-3-carboxylic acid derivatives KANEBO, LTD. (JP) 1985-07-23 US disclosed
EP-0115049-A1 1-Ethyl-6,8-difluoro-1,4-dihydro-7-(1-imidazolyl)-4-oxoquinoline-3-carboxylic acid derivatives, process for preparing the same and anti-microbial compositions KANEBO, LTD. (JP) 1984-08-08 EP 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 2435/4885ALDH1A1 3146/4885HPGD 1739/4885

“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.