SCHEMBL312379

SCHEMBL312379

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)c(F)c21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.76
HSD17B10 Q99714 6/20 0.76
HPGD P15428 6/20 0.76
ALDH1A1 P00352 5/20 0.76
PMP22 Q01453 1/20 0.75
LMNA P02545 3/20 0.67
BRD4 O60885 1/20 0.67
TSHR P16473 1/20 0.67
HTT P42858 1/20 0.67
CYP2J2 P51589 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
CYP2C9 P11712 2/20 0.65
ATP6V1B2 P21281 1/20 0.65
TBXA2R P21731 1/20 0.65
EDNRA P25101 1/20 0.65
TARBP2 Q15633 1/20 0.65
TOP2A P11388 5/20 0.52
TOP2B Q02880 4/20 0.52
DRD3 P35462 1/20 0.52
TOP1 P11387 1/20 0.52

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
Water SCHEMBL10765060 0.99 KDM4E (0.75) KDM4EHSD17B10HPGDALDH1A1PMP22
Hydrochloric Acid SCHEMBL10743594 0.99 KDM4E (0.77) KDM4EHSD17B10HPGDALDH1A1PMP22
SCHEMBL11022192 0.96 KDM4E (0.71) KDM4EHSD17B10HPGDALDH1A1PMP22
SCHEMBL10769533 0.92 KDM4E (0.65) KDM4EHSD17B10HPGDALDH1A1PMP22
SCHEMBL10459451 0.92 KDM4E (0.65) KDM4EHSD17B10HPGDALDH1A1PMP22
Hydrochloric Acid SCHEMBL11187466 0.91 KDM4E (0.68) KDM4EHSD17B10HPGDALDH1A1PMP22
SCHEMBL10765880 0.91 KDM4E (0.64) KDM4EHSD17B10HPGDALDH1A1PMP22
SCHEMBL6305606 0.90 KDM4E (0.80) KDM4EHSD17B10HPGDALDH1A1PMP22
SCHEMBL11185030 0.90 KDM4E (0.71) KDM4EHSD17B10HPGDALDH1A1PMP22
Hydrochloric Acid SCHEMBL10764169 0.90 KDM4E (0.65) KDM4EHSD17B10HPGDALDH1A1PMP22

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57145862-A None JP disclosed
JP-61085381-A None JP disclosed
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
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
US-5753658-A FOR TREATMENT OF BACTERIAL INFECTIONS SENJU PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5672600-A Antimicrobial dithiocarbamoyl quinolones THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US disclosed
US-5387748-A Antimicrobial dithiocarbamoyl quinolones PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-02-07 US disclosed
EP-0329719-A1 PROCESS FOR THE PREPARATION OF QUINOLINE CARBOXYLIC ACID DERIVATIVES CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1989-08-30 EP disclosed
WO-1988010253-A1 PROCESS FOR THE PREPARATION OF QUINOLINE CARBOXYLIC ACID DERIVATIVES Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1988-12-29 WO disclosed
EP-0235762-A1 8-Position substituted quinolone-carboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 EP disclosed
JP-S6185381-A PREPARATION OF 1-ETHYL-6, 8-DIFLUORO-1, 4-DIHYDRO-4-OXO-7-PIPERAZINYLQUINOLINE-3-CARBOXYLIC ACID DERIVATIVE HOKURIKU SEIYAKU CO LTD 1986-04-30 JP 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
US-4429127-A BACTERICIDES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1984-01-31 US disclosed
US-4398029-A BACTERICIDES KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1983-08-09 US disclosed
JP-S57145862-A QUINOLINECARBOXYLIC ACID DERIVATIVE KYORIN PHARMACEUT CO LTD 1982-09-09 JP disclosed
JP-S06185381-A 0001-01-01 JP 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 (2 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 1768/4885HPGD 1739/4885
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 KDM4E 1113/4885HSD17B10 1679/4885HPGD 1193/4885

“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.