SCHEMBL5330630

SCHEMBL5330630

[c]1cnc(-c2ncco2)cn1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL17701242 0.72 HPGDS (0.35) HPGDSLTA4H
SCHEMBL982756 0.69 HPGDS (0.39) HPGDSLTA4H
SCHEMBL7450726 0.69 HPGDS (0.31) HPGDSLTA4H
SCHEMBL764108 0.69 HPGDS (0.36) HPGDSLTA4H
SCHEMBL17701191 0.69 HPGDS (0.33) HPGDSLTA4H
SCHEMBL100765 0.68 HPGDS (0.46) HPGDSLTA4H
SCHEMBL747313 0.68 HPGDS (0.46) HPGDSLTA4H
SCHEMBL7940958 0.67 HPGDS (0.37) HPGDSLTA4H
SCHEMBL17701254 0.65 HPGDS (0.52) HPGDSLTA4H
SCHEMBL18783463 0.65 NISCH (0.37)

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
WO-2007127135-A2 ANTIBIOTIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-08 WO claimed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 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-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 HPGDS 4461/4885LTA4H 1673/4885

“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.