SCHEMBL832063

SCHEMBL832063

Cc1cc2c3c4cccnc4oc(=O)c3n(Cc3cc(NC=O)ccc3F)c2cc1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL10257060 0.87 PPARG (0.35) PPARGGRIN1GRIN2BMAPTTP53
SCHEMBL12624639 0.85 MAPT (0.40) ALDH1A1MAPTTP53
SCHEMBL831774 0.85 PIK3R1 (0.35) PPARGALDH1A1
SCHEMBL12623576 0.83 PPARG (0.33) PPARG
SCHEMBL12623598 0.83 PPARG (0.31) PPARGGRIN1GRIN2B
SCHEMBL862201 0.83 PPARG (0.38) PPARGALDH1A1
SCHEMBL12623186 0.83 CA9 (0.36) PPARG
SCHEMBL12623594 0.81 GRIN1 (0.36) ALDH1A1GRIN1GRIN2B
SCHEMBL12623895 0.79 HTT (0.36) GRIN1GRIN2BMAPTTP53RXFP1
SCHEMBL12655426 0.79 GRIN1 (0.31) GRIN1GRIN2B

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
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 — — US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 — — 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 PPARG 3860/4885ALDH1A1 2482/4885GRIN1 2621/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 PPARG 4093/4885ALDH1A1 1792/4885GRIN1 2446/4885

“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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