SCHEMBL12655604

SCHEMBL12655604

CCOC(=O)c1[nH]c2cc(F)c3c(c2c1-c1cccnc1OC)OCC3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EED O75530 2/20 0.37
▸ SUZ12 Q15022 2/20 0.37
▸ EZH2 Q15910 2/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.36
▸ KDM4E B2RXH2 7/20 0.35
▸ HPGD P15428 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PREP P48147 1/20 0.34

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
SCHEMBL12388713 0.91 EED (0.43) EEDSUZ12EZH2KDM4EHPGD
SCHEMBL12435809 0.81 BTK (0.39) EEDSUZ12EZH2FFAR4BTK
SCHEMBL12388702 0.80 KCNA3 (0.38) FFAR4KDM4EHPGDALDH1A1MAPT
SCHEMBL13395655 0.78 ACHE (0.35) KDM4EHPGDALDH1A1MAPTKMT2A
SCHEMBL13395591 0.77 ALDH1A1 (0.37) FFAR4KDM4EHPGDALDH1A1MAPT
SCHEMBL13395452 0.76 ACHE (0.40) KDM4EHPGDALDH1A1MAPTKMT2A
SCHEMBL12388685 0.76 BTK (0.38) KDM4EHPGDALDH1A1MAPTHSD17B10
SCHEMBL829884 0.75 GAA (0.49) KDM4EHPGDALDH1A1MAPTKMT2A
SCHEMBL10077948 0.75 HPGD (0.41) FFAR4KDM4EHPGDALDH1A1MAPT
SCHEMBL829516 0.74 ALDH1A1 (0.55) KDM4EHPGDALDH1A1MAPTKMT2A

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-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 — — 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
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 — — WO 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 EED 986/4885SUZ12 1432/4885EZH2 379/4885

“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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