SCHEMBL12623921

SCHEMBL12623921

COc1ccc2cc(Cn3c4cc(F)c5ccoc5c4c4c5cccnc5oc(=O)c43)c(Cl)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ GFER P55789 1/20 0.36
▸ NPBWR1 P48145 2/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPT P10636 4/20 0.31
▸ AURKA O14965 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MET P08581 2/20 0.30
▸ CYP2C8 P10632 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL12388812 0.92 ELANE (0.33) ALDH1A1KDM4ECYP2C8
SCHEMBL12623984 0.92 PPARG (0.33) CYP2C8
SCHEMBL12623426 0.89 CYP2C8 (0.37) KMT2AMAPTCYP2C8
SCHEMBL12623969 0.86 CYP2C8 (0.31) CYP2C8
SCHEMBL12623861 0.85 CYP2C8 (0.40) ALDH1A1KDM4EGFERNPC1RAB9A
SCHEMBL12623837 0.85 — —
SCHEMBL12623662 0.81 — —
SCHEMBL12623091 0.80 MAPT (0.39) ALDH1A1KDM4ENPC1L3MBTL1MAPT
SCHEMBL12623681 0.80 EGFR (0.34) ALDH1A1KDM4ENPBWR1MAPTMAPK1
SCHEMBL12623832 0.79 MAPT (0.31) MAPT

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 ALDH1A1 2482/4885KDM4E 2071/4885GFER 4384/4885

“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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