SCHEMBL1154931

SCHEMBL1154931

COc1c(N2CCC(NC3CCNCC3)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.69
ALDH1A1 P00352 5/20 0.69
HPGD P15428 4/20 0.69
KCNH2 Q12809 3/20 0.69
POLB P06746 3/20 0.69
HSD17B10 Q99714 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
OPRM1 P35372 2/20 0.69
PRKD3 O94806 1/20 0.69
ALOX15 P16050 1/20 0.69
CLK2 P49760 1/20 0.69
CLK4 Q9HAZ1 1/20 0.69
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
LMNA P02545 2/20 0.60
CYP2C19 P33261 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ATM Q13315 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
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
SCHEMBL5567617 0.96 KDM4E (0.71) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL5670694 0.96 KDM4E (0.71) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL1155026 0.90 KDM4E (0.80) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL27918942 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2POLB
Methyl Alcohol SCHEMBL29163210 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2POLB
Water SCHEMBL27625917 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL28079403 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2POLB
Hydrochloric Acid SCHEMBL9751979 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2POLB
Water SCHEMBL28828205 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2POLB
Acetic Acid SCHEMBL28525396 0.89 KDM4E (0.77) KDM4EALDH1A1HPGDKCNH2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884099-B2 such as (R)-5'-[3-{1-(4-{1-[1-(3-Carboxy-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-8-yl)-pyrrolidin-3-yl-cyclopropyl]-methylamino}-piperidin-1-yl]-3'-hydroxy-benzoxazinorifamycin, useful as bactericides for the treatment of bacterial infections CUMBRE IP VENTURES, L.P. (US) 2011-02-08 US disclosed
US-20090143373-A1 QUINOLONE CARBOXYLIC ACID-SUBSTITUTED RIFAMYCIN DERIVATIVES CUMBRE PHARMACEUTICALS INC. (US) 2009-06-04 US disclosed
WO-2009064792-A1 QUINOLONE CARBOXYLIC ACID-SUBSTITUTED RIFAMYCIN DERIVATIVES CUMBRE PHARMACEUTICALS INC. (US) 2009-05-22 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-20090143373-A1 QUINOLONE CARBOXYLIC ACID-SUBSTITUTED RIFAMYCIN DERIVATIVES NQO2, SDHA, QPCT KDM4E 2574/4885ALDH1A1 1004/4885HPGD 331/4885

“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.