SCHEMBL5717811

SCHEMBL5717811

COc1cc(C(=O)NCC(N)=O)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 16/20 0.64
ALOX15 P16050 1/20 0.63
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NOD2 Q9HC29 1/20 0.52

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
SCHEMBL7030966 0.90 P2RY12 (0.66) P2RY12ALOX15
SCHEMBL20460281 0.86 ALOX15 (0.68) P2RY12ALOX15
SCHEMBL2073956 0.85 ALOX15 (0.71) P2RY12ALOX15
SCHEMBL20460357 0.85 ALOX15 (0.66) P2RY12ALOX15MEN1KMT2A
SCHEMBL23710419 0.84 ALOX15 (0.64) P2RY12ALOX15
SCHEMBL20460301 0.84 ALOX15 (0.64) P2RY12ALOX15
SCHEMBL20460325 0.82 ALOX15 (0.63) P2RY12ALOX15
SCHEMBL20460330 0.81 P2RY12 (0.66) P2RY12ALOX15
SCHEMBL13035843 0.81 ALOX15 (0.73) P2RY12ALOX15
SCHEMBL13075989 0.81 ALOX15 (0.77) P2RY12ALOX15

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
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 P2RY12 3365/4885ALOX15 2590/4885MEN1 2872/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 P2RY12 4281/4885ALOX15 2244/4885MEN1 2870/4885

“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.