SCHEMBL5570141

SCHEMBL5570141

COc1c(N2CCC(N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.79
ALDH1A1 P00352 5/20 0.75
POLB P06746 3/20 0.75
OPRM1 P35372 2/20 0.75
CHRM2 P08172 1/20 0.75
CHRM1 P11229 1/20 0.75
OPRD1 P41143 1/20 0.75
KDM4E B2RXH2 9/20 0.75
HPGD P15428 4/20 0.75
HSD17B10 Q99714 2/20 0.75
TDP1 Q9NUW8 2/20 0.75
PRKD3 O94806 1/20 0.75
ALOX15 P16050 1/20 0.75
CLK2 P49760 1/20 0.75
CLK4 Q9HAZ1 1/20 0.75
LMNA P02545 2/20 0.67
TOP1 P11387 2/20 0.66
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
NPSR1 Q6W5P4 1/20 0.62

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 SCHEMBL9773975 0.99 KCNH2 (0.78) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL5571094 0.95 KCNH2 (0.74) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL5571237 0.94 KCNH2 (0.76) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL5567734 0.93 KCNH2 (0.74) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9266342 0.93 KCNH2 (0.69) KCNH2ALDH1A1POLBOPRM1CHRM2
Hydrochloric Acid SCHEMBL9774028 0.93 KCNH2 (0.73) KCNH2ALDH1A1POLBOPRM1CHRM2
Water SCHEMBL9773903 0.93 KCNH2 (0.73) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9773824 0.91 KCNH2 (0.79) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL4365324 0.90 KCNH2 (0.75) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL4369673 0.90 KCNH2 (0.75) KCNH2ALDH1A1POLBOPRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043450-A Bactericides KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-08-27 US claimed
EP-0241206-A2 Quinoline-3-carboxylic acid derivatives, their preparation and use Sankyo Company Limited (JP) 1987-10-14 EP claimed
EP-1730154-B1 RIFAMYCIN DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES CUMBRE IP VENTURES L P (US) 2012-10-17 EP disclosed
US-7250413-B2 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-31 US disclosed
US-7247634-B2 Rifamycin derivatives effective against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-24 US disclosed
US-7238694-B2 Rifamycin imino derivatives effective against drug-resistant microbes CUMBRE PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
EP-1730154-A2 RIFAMYCIN DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES Cumbre Pharmaceuticals Inc. (US) 2006-12-13 EP disclosed
EP-1723150-A1 RIFAMYCIN IMINO DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES Cumbre Pharmaceuticals Inc. (US) 2006-11-22 EP disclosed
US-20050261262-A1 Rifamycin derivatives effective against drug-resistant microbes CUMBRE INC. (US) 2005-11-24 US disclosed
US-20050256096-A1 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CUMBRE INC. (US) 2005-11-17 US disclosed
US-20050209210-A1 Rifamycin imino derivatives effective against drug-resistant microbes CUMBRE INC. (US) 2005-09-22 US disclosed
WO-2005070941-A1 RIFAMYCIN IMINO DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES CUMBRE PHARMACEUTICALS INC. (US) 2005-08-04 WO disclosed
WO-2005070940-A2 RIFAMYCIN DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES CUMBRE PHARMACEUTICALS INC. (US) 2005-08-04 WO disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050256096-A1 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CHCHD6, NAT10, RPS25 KCNH2 2210/4885ALDH1A1 2070/4885POLB 2261/4885
US-20050261262-A1 Rifamycin derivatives effective against drug-resistant microbes RIF1, MRPL37, AURKAIP1 KCNH2 3101/4885ALDH1A1 1731/4885POLB 2126/4885
US-20050209210-A1 Rifamycin imino derivatives effective against drug-resistant microbes RIF1, TOP1, TOP2A KCNH2 3651/4885ALDH1A1 2176/4885POLB 73/4885

“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.