SCHEMBL6705116

SCHEMBL6705116

COc1ccc2nccc([C@H](N)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.73

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
SCHEMBL6705119 1.00 KCNH2 (0.73) KCNH2
SCHEMBL6705110 1.00 KCNH2 (0.73) KCNH2
SCHEMBL6605619 0.93 KCNH2 (0.85) KCNH2
SCHEMBL6610792 0.93 KCNH2 (0.85) KCNH2
SCHEMBL6610786 0.93 KCNH2 (0.85) KCNH2
Hydrochloric Acid SCHEMBL7721869 0.93 KCNH2 (0.83) KCNH2
SCHEMBL6604238 0.93 KCNH2 (0.73) KCNH2
Hydrochloric Acid SCHEMBL7721873 0.93 KCNH2 (0.83) KCNH2
SCHEMBL6606732 0.93 KCNH2 (0.73) KCNH2
Hydrochloric Acid SCHEMBL7721870 0.93 KCNH2 (0.83) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806277-B2 ANTIBACTERIAL AGENTS; HEMOPHILUS INFLUENZA; METICILLIN RESISTANT STAPHYLOCOCCUS AUREUS AS5155; STREPTOCOCCUS PNEUMONIAE 6254-01; ENTEROCOCCUS FAECIUM ATCC29212 OR H983401; MORAXELLA CATHARRHALIS IPA152 AVENTIS, PHARMA S.A. (FR) 2004-10-19 US disclosed
US-20040058919-A1 Quinolylpropylpiperidine derivatives, preparation process and intermediates, and compositions including them AVENTIS PHARMA S.A. (FR) 2004-03-25 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 (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-20040058919-A1 Quinolylpropylpiperidine derivatives, preparation process and intermediates, and compositions including them OGFOD1, CBR3, AOC3 KCNH2 141/4885

“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.