SCHEMBL6783172

SCHEMBL6783172

CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CCN1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.81
KDM4E B2RXH2 6/20 0.81
HPGD P15428 6/20 0.81
KCNH2 Q12809 6/20 0.81
HSD17B10 Q99714 5/20 0.81
POLB P06746 3/20 0.81
OPRM1 P35372 2/20 0.81
PRKD3 O94806 1/20 0.81
ALOX15 P16050 1/20 0.81
CLK2 P49760 1/20 0.81
CLK4 Q9HAZ1 1/20 0.81
TDP1 Q9NUW8 1/20 0.81
PMP22 Q01453 1/20 0.72
HRH3 Q9Y5N1 1/20 0.60
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
OPRD1 P41143 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TOP2A P11388 4/20 0.55

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
SCHEMBL29593740 1.00 ALDH1A1 (0.81) ALDH1A1KDM4EHPGDKCNH2HSD17B10
SCHEMBL9792010 0.92 KCNH2 (0.79) ALDH1A1KDM4EHPGDKCNH2HSD17B10
SCHEMBL3957125 0.92 ALDH1A1 (0.79) ALDH1A1KDM4EHPGDKCNH2HSD17B10
SCHEMBL8433684 0.92 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDKCNH2HSD17B10
Hydrochloric Acid SCHEMBL10352018 0.91 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDKCNH2HSD17B10
SCHEMBL9485535 0.91 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDKCNH2HSD17B10
Hydrochloric Acid SCHEMBL10914782 0.91 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDKCNH2HSD17B10
SCHEMBL8437432 0.90 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDKCNH2HSD17B10
(R)-Gatifloxacin SCHEMBL5670068 0.90 KDM4E (1.00) ALDH1A1KDM4EHPGDKCNH2HSD17B10
SCHEMBL10401420 0.90 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDKCNH2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60169475-A None JP disclosed
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 EP disclosed
US-6777420-B2 A URACIL COMPOUNDS AS ENZYME INHIBITORS, INHIBIT BACTERIAL DNA POLYMERASE, TREATING BACTERIAL DISEASES MICROBIOTIX, INC. 2004-08-17 US disclosed
US-20030181719-A1 Novel heterocyclic antibacterial compounds MICROBIOTIX, INC. 2003-09-25 US disclosed
US-5409933-A Antibiotics KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-04-25 US disclosed
EP-0230295-B1 8-alkoxyquinolonecarboxylic acid and salts thereof excellent in the selective toxicity and process of preparing the same KYORIN SEIYAKU KK (JP) 1994-05-25 EP disclosed
WO-1993025545-A1 NOVEL QUINOLINE DERIVATIVES AND PROCESSES FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-12-23 WO disclosed
EP-0574231-A1 Quinolone and naphthyridine derivatives having at the 3-position a group other than a carboxy group, as antibacterials KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-12-15 EP disclosed
EP-0337231-B1 I. M. INJECTION FORMS OF GYRASE-INHIBITORS BAYER AG (DE) 1992-06-17 EP disclosed
US-5043450-A Bactericides KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-08-27 US disclosed
US-5023257-A Related to ciprofloxacin, in the form of oily suspension; bacterial infections BAYER AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed
US-4980470-A 8-alkoxyquinolonecarboxylic acid and salts thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-12-25 US disclosed
EP-0337231-A2 I. M. injection forms of gyrase-inhibitors BAYER AG (DE) 1989-10-18 EP disclosed
EP-0126355-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACID, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1987-09-09 EP disclosed
EP-0230295-A2 8-alkoxyquinolonecarboxylic acid and salts thereof excellent in the selective toxicity and process of preparing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-07-29 EP disclosed
EP-0178388-A1 Quinolinecarboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-04-23 EP disclosed
JP-S60169475-A QUINOLINE DERIVATIVE DAI ICHI SEIYAKU CO LTD 1985-09-02 JP disclosed
EP-0126355-A1 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinoline-carboxylic acid, processes for their preparation and antibacterial agents containing them BAYER AG (DE) 1984-11-28 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-20030181719-A1 Novel heterocyclic antibacterial compounds TOP1, TOP2A, TOP2B ALDH1A1 2897/4885KDM4E 2689/4885HPGD 707/4885

“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.