SCHEMBL6167943

SCHEMBL6167943

Cc1c(N2C[C@@H](N)CC(C)(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.65
ALDH1A1 P00352 4/20 0.61
POLB P06746 2/20 0.61
OPRM1 P35372 2/20 0.61
CHRM2 P08172 1/20 0.61
CHRM1 P11229 1/20 0.61
OPRD1 P41143 1/20 0.61
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
PRKD3 O94806 1/20 0.50
ALOX15 P16050 1/20 0.50
CLK2 P49760 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TOP2A P11388 5/20 0.49
TOP2B Q02880 5/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.46

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
Hydrochloric Acid SCHEMBL6167800 0.99 KCNH2 (0.64) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9080495 0.90 KCNH2 (0.64) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6168314 0.90 KCNH2 (0.66) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6171514 0.89 KCNH2 (0.78) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9047082 0.87 ALDH1A1 (0.79) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9023327 0.87 ALDH1A1 (0.79) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL4365471 0.85 KCNH2 (0.73) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8775622 0.84 KCNH2 (0.66) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9022789 0.84 KCNH2 (0.66) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6169885 0.84 KCNH2 (0.65) 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 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 1547/4885ALDH1A1 2739/4885POLB 210/4885

“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.