SCHEMBL862830

SCHEMBL862830

CCOC(=O)c1c(-c2cccnc2OC)c2c(n1Cc1ccc(F)cc1F)=CCC([C@H]1C[C@H]1C)C=2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
GPR6 P46095 1/20 0.34
EED O75530 3/20 0.34
SUZ12 Q15022 2/20 0.34
EZH2 Q15910 2/20 0.34
P2RX3 P56373 2/20 0.33
NAAA Q02083 1/20 0.33
GRM7 Q14831 1/20 0.32
TSHR P16473 1/20 0.32
GNRHR P30968 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
P2RX7 Q99572 2/20 0.31
F2RL3 Q96RI0 1/20 0.30
MLNR O43193 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL862502 0.92 GPR6 (0.35) GPR6P2RX3NAAAFFAR4P2RX7
SCHEMBL862252 0.87 SCN9A (0.38) GPR6P2RX3NAAA
SCHEMBL862857 0.86 FFAR4 (0.34) ALDH1A1GPR6NAAAFFAR4MLNR
SCHEMBL12655673 0.86 FFAR4 (0.34) ALDH1A1GPR6NAAAFFAR4MLNR
SCHEMBL862471 0.82 SCN9A (0.38) GPR6
SCHEMBL832012 0.79 KMT2A (0.38) ALDH1A1TDP1GPR6EEDSUZ12
SCHEMBL832534 0.79 KMT2A (0.38) ALDH1A1TDP1GPR6EEDSUZ12
SCHEMBL388003 0.79 KMT2A (0.38) ALDH1A1TDP1GPR6EEDSUZ12
SCHEMBL832949 0.75 KMT2A (0.40) ALDH1A1TDP1GPR6EEDSUZ12
SCHEMBL832805 0.75 PKM (0.44) ALDH1A1TDP1GPR6EEDSUZ12

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-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 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 (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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 ALDH1A1 1792/4885TDP1 2080/4885GPR6 2012/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT ALDH1A1 800/4885TDP1 759/4885GPR6 3272/4885

“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.