Sugi Predict

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SCHEMBL833262

SCHEMBL833262

Cc1nc2cc(F)c(CBr)cc2c(=O)n1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ IDO2 Q6ZQW0 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TRPV3 Q8NET8 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ POLR1A O95602 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ NR1H2 P55055 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL832789 0.85 GABRG2 (0.36) IDO1TDO2IDO2POLBMEN1
SCHEMBL862165 0.84 GRM2 (0.31) IDO1TDO2IDO2DPP4TRPV3
SCHEMBL13394518 0.83 IDO1 (0.33) IDO1TDO2IDO2TRPV3ALDH1A1
SCHEMBL832711 0.81 HDAC6 (0.33) IDO1TDO2IDO2DPP4MTNR1A
SCHEMBL832565 0.71 MAP2K4 (0.35) DPP4MTNR1AMTNR1BL3MBTL1
SCHEMBL17918170 0.71 DPP4 (0.36) IDO1TDO2IDO2DPP4MTNR1A
SCHEMBL862727 0.70 GABRG2 (0.33) IDO1TDO2IDO2POLR1A
SCHEMBL862090 0.70 PIK3R1 (0.37) TRPV3KDM4EALDH1A1LMNANR1H2
SCHEMBL13210042 0.68 HDAC6 (0.32) IDO1
SCHEMBL25299659 0.68 NOD2 (0.37) DPP4MAPTPOLBKDM4EMEN1

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-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 — — US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 — — US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 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
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 — — 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 (4 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 IDO1 1/4885TDO2 13/4885IDO2 2/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 IDO1 2/4885TDO2 16/4885IDO2 1/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT IDO1 1/4885TDO2 12/4885IDO2 2/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 IDO1 1/4885TDO2 9/4885IDO2 2/4885

“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.