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
SCHEMBL5020148 0.78 METAP2 (0.46) NOTUMIDO1
SCHEMBL1822901 0.78 NOTUM (0.33) NOTUMIDO1
SCHEMBL30171029 0.78 IDO1 (0.54) NOTUMIDO1
SCHEMBL5020277 0.78 IDO1 (0.46) NOTUMIDO1
SCHEMBL5020152 0.78 MAP4K4 (0.47)
SCHEMBL5020146 0.78 HSD17B1 (0.48)
SCHEMBL5020151 0.78 IDO1 (0.46) IDO1
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.