SCHEMBL12623091

SCHEMBL12623091

O=c1oc2ncccc2c2c3c4occc4c(F)cc3n(Cc3ccccc3F)c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ TSHR P16473 3/20 0.38
▸ ALDH1A1 P00352 7/20 0.36
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ ATM Q13315 1/20 0.32
▸ NPC1 O15118 1/20 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
SCHEMBL12623681 0.92 EGFR (0.34) MAPTKDM4ETSHRALDH1A1MAPK1
SCHEMBL12623620 0.88 TNIK (0.32) —
SCHEMBL12388840 0.87 NOS2 (0.31) —
SCHEMBL12623617 0.87 — —
SCHEMBL12623743 0.87 HTR1A (0.31) —
SCHEMBL12623357 0.87 CYP19A1 (0.34) MAPTKDM4EALDH1A1POLBL3MBTL1
SCHEMBL12623832 0.87 MAPT (0.31) MAPT
SCHEMBL12623426 0.86 CYP2C8 (0.37) MAPT
SCHEMBL12623600 0.86 — —
SCHEMBL12623568 0.85 PTGDR2 (0.31) —

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 MAPT 424/4885KDM4E 2071/4885TSHR 2811/4885

“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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