SCHEMBL523039

SCHEMBL523039

CCC(NC)c1cccc(C(CC)NC)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 2/20 0.31
▸ PGK2 P07205 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2323123 0.78 KCNA5 (0.47) KCNH2SCN5AALDH1A1
SCHEMBL24369084 0.74 MAPK9 (0.33) —
SCHEMBL12310388 0.72 AXL (0.34) —
SCHEMBL6609291 0.71 HTT (0.39) —
SCHEMBL3631871 0.70 TSHR (0.41) PGK1PGK2KCNH2IRAK4ALDH1A1
SCHEMBL15868176 0.70 IRAK4 (0.40) PGK1PGK2IRAK4ALDH1A1
SCHEMBL8285919 0.70 CA1 (0.37) KCNH2SCN5AALDH1A1
SCHEMBL13075266 0.68 ALDH1A1 (0.52) ALDH1A1
SCHEMBL8248592 0.68 ALDH1A1 (0.52) ALDH1A1
SCHEMBL522830 0.68 IRAK4 (0.40) PGK1PGK2KCNH2IRAK4

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
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 — — EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 — — 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-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 PGK1 1239/4885PGK2 1564/4885KCNH2 3359/4885

“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.

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