SCHEMBL13208373

SCHEMBL13208373

[C-]#[N+]c1cc(Br)cc(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ POLB P06746 1/20 0.31

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
SCHEMBL13316004 0.84 GABRA1 (0.46) GABRA1GABRB2POLB
SCHEMBL29951868 0.79 NOTUM (0.40) —
SCHEMBL190968 0.77 GABRA1 (0.52) GABRA1GABRB2POLB
SCHEMBL846677 0.77 GABRA1 (0.46) GABRA1GABRB2POLB
SCHEMBL13208363 0.75 GABRA1 (0.33) GABRA1GABRB2POLB
SCHEMBL13208354 0.75 GABRA1 (0.33) GABRA1GABRB2POLB
SCHEMBL28241863 0.74 GABRA1 (0.50) GABRA1GABRB2POLB
SCHEMBL12400058 0.71 ALDH1A1 (0.36) —
SCHEMBL31071024 0.70 RXRB (0.41) GABRA1GABRB2POLB
SCHEMBL23915436 0.69 GABRA1 (0.44) GABRA1GABRB2POLB

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-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 — — 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-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 GABRA1 266/4885GABRB2 184/4885POLB 4854/4885

“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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