SCHEMBL5567734

SCHEMBL5567734

COc1c(N2CC(N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.74
KDM4E B2RXH2 9/20 0.73
ALDH1A1 P00352 5/20 0.73
HPGD P15428 4/20 0.73
POLB P06746 3/20 0.73
HSD17B10 Q99714 2/20 0.73
OPRM1 P35372 2/20 0.73
TDP1 Q9NUW8 2/20 0.73
PRKD3 O94806 1/20 0.73
ALOX15 P16050 1/20 0.73
CLK2 P49760 1/20 0.73
CLK4 Q9HAZ1 1/20 0.73
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
LMNA P02545 2/20 0.65
CHRM2 P08172 1/20 0.65
CHRM1 P11229 1/20 0.65
OPRD1 P41143 1/20 0.65
NPSR1 Q6W5P4 1/20 0.60
CYP2C19 P33261 1/20 0.60

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 SCHEMBL9773903 0.99 KCNH2 (0.73) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL5570141 0.93 KCNH2 (0.79) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6169394 0.93 KDM4E (0.69) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6167197 0.93 KDM4E (0.69) KCNH2KDM4EALDH1A1HPGDPOLB
Water SCHEMBL9773975 0.93 KCNH2 (0.78) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6458734 0.92 KDM4E (0.75) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6169491 0.92 KCNH2 (0.67) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6169566 0.92 KCNH2 (0.67) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL6167081 0.92 KDM4E (0.68) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL5571094 0.92 KCNH2 (0.74) KCNH2KDM4EALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730154-B1 RIFAMYCIN DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES CUMBRE IP VENTURES L P (US) 2012-10-17 EP disclosed
US-7247634-B2 Rifamycin derivatives effective against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-24 US disclosed
EP-1730154-A2 RIFAMYCIN DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES Cumbre Pharmaceuticals Inc. (US) 2006-12-13 EP disclosed
US-20050261262-A1 Rifamycin derivatives effective against drug-resistant microbes CUMBRE INC. (US) 2005-11-24 US disclosed
WO-2005070940-A2 RIFAMYCIN DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES CUMBRE PHARMACEUTICALS INC. (US) 2005-08-04 WO 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-20050261262-A1 Rifamycin derivatives effective against drug-resistant microbes RIF1, MRPL37, AURKAIP1 KCNH2 3101/4885KDM4E 2995/4885ALDH1A1 1731/4885

“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.