SCHEMBL8780977

SCHEMBL8780977

Bc1cccc(-c2cnn[nH]2)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.33
▸ SCN2A Q99250 2/20 0.32
▸ IDO1 P14902 3/20 0.32

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
SCHEMBL5020152 0.78 MAP4K4 (0.47) —
SCHEMBL1822901 0.78 NOTUM (0.33) NOTUMIDO1
SCHEMBL5020277 0.78 IDO1 (0.46) NOTUMIDO1
SCHEMBL30171029 0.78 IDO1 (0.54) NOTUMIDO1
SCHEMBL5020151 0.78 IDO1 (0.46) IDO1
SCHEMBL5020146 0.78 HSD17B1 (0.48) —
SCHEMBL5020148 0.78 METAP2 (0.46) NOTUMIDO1
SCHEMBL5020244 0.77 SCN2A (0.56) NOTUMSCN2AIDO1
SCHEMBL10018 0.76 SCN4A (0.46) SCN2AIDO1
SCHEMBL23150465 0.74 IDO1 (0.40) NOTUMIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 — — 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-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NOTUM 1126/4885SCN2A 2330/4885IDO1 634/4885

“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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