SCHEMBL5566754

SCHEMBL5566754

COc1c(N2CCC(N3CCNCC3)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.74
ALDH1A1 P00352 6/20 0.74
HPGD P15428 5/20 0.74
KCNH2 Q12809 4/20 0.74
HSD17B10 Q99714 3/20 0.74
POLB P06746 3/20 0.74
TDP1 Q9NUW8 2/20 0.74
OPRM1 P35372 2/20 0.74
PRKD3 O94806 1/20 0.74
ALOX15 P16050 1/20 0.74
CLK2 P49760 1/20 0.74
CLK4 Q9HAZ1 1/20 0.74
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
LMNA P02545 3/20 0.63
CYP2C19 P33261 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
ATM Q13315 1/20 0.55
CHRM2 P08172 1/20 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
SCHEMBL5571427 0.95 KDM4E (0.71) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL1155026 0.90 KDM4E (0.80) KDM4EALDH1A1HPGDKCNH2HSD17B10
Water SCHEMBL27625917 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2HSD17B10
Methyl Alcohol SCHEMBL29163210 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL27918942 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2HSD17B10
Hydrochloric Acid SCHEMBL9751979 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL28079403 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2HSD17B10
Water SCHEMBL28828205 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDKCNH2HSD17B10
Acetic Acid SCHEMBL28525396 0.89 KDM4E (0.77) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL5571225 0.88 KDM4E (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238694-B2 Rifamycin imino derivatives effective against drug-resistant microbes CUMBRE PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
EP-1723150-A1 RIFAMYCIN IMINO DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES Cumbre Pharmaceuticals Inc. (US) 2006-11-22 EP 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

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-20050209210-A1 Rifamycin imino derivatives effective against drug-resistant microbes RIF1, TOP1, TOP2A KDM4E 2157/4885ALDH1A1 2176/4885HPGD 1058/4885

“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.