SCHEMBL12623598

SCHEMBL12623598

Cc1cc(Cn2c3cc(F)c(C)cc3c3c4cccnc4oc(=O)c32)c(F)cn1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.31
▸ GRIN1 Q05586 3/20 0.31
▸ GRIN2B Q13224 3/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ CYP2C8 P10632 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 0.88 PPARG (0.35) PPARGGRIN1GRIN2BPTGDR2KDM4E
SCHEMBL12624639 0.88 MAPT (0.40) LMNAHSD17B10KDM4ETSHRPKM
SCHEMBL12623594 0.85 GRIN1 (0.36) GRIN1GRIN2BPTGDR2KDM4EPKM
SCHEMBL831774 0.84 PIK3R1 (0.35) PPARGPTGDR2PKM
SCHEMBL12623576 0.84 PPARG (0.33) PPARG
SCHEMBL12623895 0.84 HTT (0.36) GRIN1GRIN2BLMNAHSD17B10KDM4E
SCHEMBL862201 0.84 PPARG (0.38) PPARGPTGDR2KDM4ETSHRCYP2C8
SCHEMBL12623186 0.84 CA9 (0.36) PPARGPTGDR2
SCHEMBL12623711 0.84 CYP2C8 (0.36) PPARGGRIN1GRIN2BPTGDR2KDM4A
SCHEMBL12624041 0.83 PPARG (0.31) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 PPARG 3860/4885GRIN1 2621/4885GRIN2B 3099/4885

“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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