SCHEMBL6168314

SCHEMBL6168314

COc1c(N2C[C@@H](N)CC(C)(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.66
KDM4E B2RXH2 8/20 0.64
ALDH1A1 P00352 5/20 0.64
HPGD P15428 4/20 0.64
POLB P06746 3/20 0.64
HSD17B10 Q99714 2/20 0.64
OPRM1 P35372 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
PRKD3 O94806 1/20 0.64
ALOX15 P16050 1/20 0.64
CLK2 P49760 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
LMNA P02545 2/20 0.58
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
OPRD1 P41143 1/20 0.57
NPSR1 Q6W5P4 1/20 0.55
CYP2C19 P33261 1/20 0.54

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
SCHEMBL9078715 0.91 KCNH2 (0.65) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6167943 0.90 KCNH2 (0.65) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL5567734 0.89 KCNH2 (0.74) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6169262 0.89 KCNH2 (0.66) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL6167800 0.89 KCNH2 (0.64) KCNH2KDM4EALDH1A1HPGDPOLB
Water SCHEMBL9773903 0.89 KCNH2 (0.73) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL5570141 0.87 KCNH2 (0.79) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL9066872 0.87 KCNH2 (0.64) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL7850090 0.87 KCNH2 (0.64) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL9066876 0.87 KCNH2 (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US claimed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP claimed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US claimed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 WO claimed

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-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 KCNH2 1547/4885KDM4E 4329/4885ALDH1A1 2739/4885

“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.