SCHEMBL12388809

SCHEMBL12388809

O=c1oc2ncccc2c2c3c4c(c(F)cc3n(Cc3cc5ccc(OCc6ccccc6)cc5nc3Cl)c12)CCO4

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.33
▸ NME2 P22392 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ MAOB P27338 4/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ PARP14 Q460N5 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ CYP2C8 P10632 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31

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
SCHEMBL12388810 0.89 CYP2C8 (0.32) CYP2C8
SCHEMBL12623747 0.80 NOS2 (0.31) —
SCHEMBL12623752 0.76 FAAH (0.33) CYP2C8
SCHEMBL12624146 0.76 — —
SCHEMBL12623921 0.75 ALDH1A1 (0.37) CYP2C8NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12623861 0.75 CYP2C8 (0.40) CYP2C8NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12623890 0.75 — —
SCHEMBL12388812 0.74 ELANE (0.33) CYP2C8ALDH1A1
SCHEMBL12623984 0.74 PPARG (0.33) CYP2C8
SCHEMBL12623755 0.73 TNIK (0.32) MAOB

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 6 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-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 — — US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 — — US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 — — 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-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 (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 CYP3A4 946/4885NME2 2193/4885DYRK1A 596/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 CYP3A4 156/4885NME2 1995/4885DYRK1A 1714/4885

“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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