SCHEMBL1155026

SCHEMBL1155026

COc1c(N2CCNCC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.80
ALDH1A1 P00352 6/20 0.80
HPGD P15428 5/20 0.80
KCNH2 Q12809 4/20 0.80
HSD17B10 Q99714 3/20 0.80
POLB P06746 3/20 0.80
TDP1 Q9NUW8 2/20 0.80
OPRM1 P35372 2/20 0.80
PRKD3 O94806 1/20 0.80
ALOX15 P16050 1/20 0.80
CLK2 P49760 1/20 0.80
CLK4 Q9HAZ1 1/20 0.80
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
LMNA P02545 3/20 0.64
CYP1A2 P05177 1/20 0.61
TOP2A P11388 1/20 0.61
CYP2C9 P11712 1/20 0.61
TOP2B Q02880 1/20 0.61
CYP2C19 P33261 1/20 0.59

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
Methyl Alcohol SCHEMBL29163210 0.99 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL27918942 0.99 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL28079403 0.99 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2HSD17B10
Water SCHEMBL28828205 0.99 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2HSD17B10
Hydrochloric Acid SCHEMBL9751979 0.99 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2HSD17B10
Water SCHEMBL27625917 0.99 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2HSD17B10
Acetic Acid SCHEMBL28525396 0.98 KDM4E (0.77) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL9773833 0.96 KDM4E (0.75) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL27002955 0.95 KDM4E (0.74) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL11975675 0.95 KDM4E (0.81) KDM4EALDH1A1HPGDKCNH2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102198138-B Compound antitubercular preparation containing gatifloxacin, and preparation method thereof UNIV SHENYANG PHARMACEUTICAL 2014-05-21 CN claimed
CN-100496469-C Gatifloxacin capsules and method of preparing the same SHANDONG LUOXIN PHARMACEUTICAL (CN) 2009-06-10 CN claimed
CN-101254179-A Gatifloxacin capsules and method of preparing the same SHANDONG LUOXIN PHARMACEUTICAL (CN) 2008-09-03 CN claimed
US-4980470-A 8-alkoxyquinolonecarboxylic acid and salts thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-12-25 US claimed
EP-0241206-A2 Quinoline-3-carboxylic acid derivatives, their preparation and use Sankyo Company Limited (JP) 1987-10-14 EP claimed
JP-6080640-A None JP disclosed
JP-6092937-A None JP disclosed
JP-62252772-A None JP disclosed
US-10087165-B2 Fluoroquinolones and use thereof to treat bacterial infections SORBONNE UNIVERSITE (FR) 2018-10-02 US disclosed
US-20170144992-A1 NOVEL FLUOROQUINOLONES AND USE THEREOF TO TREAT BACTERIAL INFECTIONS UNIVERSITÉ PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-05-25 US disclosed
US-20170144992-A1 NOVEL FLUOROQUINOLONES AND USE THEREOF TO TREAT BACTERIAL INFECTIONS UNIVERSITÉ PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-05-25 US disclosed
US-20170144992-A1 NOVEL FLUOROQUINOLONES AND USE THEREOF TO TREAT BACTERIAL INFECTIONS UNIVERSITÉ PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-05-25 US disclosed
JP-H0680640-A 8-ALKOXYQUINOLONECARBOXYLIC ACID HAVING EXCELLENT SELECTIVE TOXICITY, ITS SALT AND ITS PRODUCTION KYORIN PHARMACEUT CO LTD 1994-03-22 JP disclosed
US-5043450-A Bactericides KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-08-27 US disclosed
US-4997943-A Bactericides SANKYO COMPANY LIMITED (JP) 1991-03-05 US disclosed
US-4980470-A 8-alkoxyquinolonecarboxylic acid and salts thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-12-25 US disclosed
JP-S62252772-A 8-ALKOXYQUINOLONECARBOXYLIC ACID HAVING EXCELLENT SELECTIVE TOXICITY, ITS SALT AND PRODUCTION THEREOF KYORIN PHARMACEUT CO LTD 1987-11-04 JP disclosed
EP-0241206-A2 Quinoline-3-carboxylic acid derivatives, their preparation and use Sankyo Company Limited (JP) 1987-10-14 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
JP-H00692937-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-10087165-B2 Fluoroquinolones and use thereof to treat bacterial infections CFTR, NQO2, FPR1 KDM4E 3086/4885ALDH1A1 4095/4885HPGD 755/4885
US-20170144992-A1 NOVEL FLUOROQUINOLONES AND USE THEREOF TO TREAT BACTERIAL INFECTIONS CFTR, IRF3, FPR1 KDM4E 3242/4885ALDH1A1 4490/4885HPGD 1216/4885

“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.