SCHEMBL6802541

SCHEMBL6802541

CCOC(=O)c1cc(C2CC2)c2c(C)c(N3CC[C@H](CC)[C@H](N)C3)c(F)cn2c1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.35
SCN5A Q14524 1/20 0.35
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6802545 1.00 KCNH2 (0.35) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL6802539 1.00 KCNH2 (0.35) KCNH2SCN5AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6797517 0.90 KCNH2 (0.41) KCNH2SCN5AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6797515 0.90 KCNH2 (0.41) KCNH2SCN5AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6797521 0.90 KCNH2 (0.41) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL5284548 0.87 KCNH2 (0.37) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL5284554 0.87 KCNH2 (0.37) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL5570849 0.87 KCNH2 (0.36) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL14497297 0.87 KCNH2 (0.36) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL5570851 0.87 KCNH2 (0.36) KCNH2SCN5AKDM4EALDH1A1HPGD

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-20040029882-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE CO. 2004-02-12 US disclosed
US-6645981-B2 For therapy of microbial infection THE PROCTER & GAMBLE COMPANY 2003-11-11 US disclosed
US-20030008894-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2003-01-09 US 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 (2 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-20030008894-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 KCNH2 1547/4885SCN5A 847/4885KDM4E 4329/4885
US-20040029882-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 KCNH2 1547/4885SCN5A 847/4885KDM4E 4329/4885

“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.