SCHEMBL832811

SCHEMBL832811

COc1ncccc1-c1c(C(=O)O)n(Cc2ccc(F)cc2F)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C8 P10632 1/20 0.40
GPR6 P46095 1/20 0.38
P2RX7 Q99572 1/20 0.38
P2RX3 P56373 2/20 0.38
FFAR4 Q5NUL3 1/20 0.37
CCR2 P41597 1/20 0.37
RORC P51449 1/20 0.36
EIF4E P06730 1/20 0.36
F2RL3 Q96RI0 1/20 0.36

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
SCHEMBL832949 0.90 KMT2A (0.40) TP53MAPTPOLBMEN1KMT2A
SCHEMBL862452 0.88 SCN9A (0.42)
SCHEMBL12665694 0.84 FABP4 (0.41) TP53MAPTMEN1KMT2AGPR6
SCHEMBL13209995 0.83 ALOX5AP (0.39) TP53MAPTMEN1KMT2ACYP2C8
SCHEMBL832326 0.83 GPR6 (0.37) TP53MAPTMEN1KMT2AGPR6
SCHEMBL3693520 0.83 GPR6 (0.37) TP53MAPTMEN1KMT2AGPR6
SCHEMBL13395483 0.82 TRPA1 (0.38) TP53MAPTPOLBGPR6P2RX3
SCHEMBL14025926 0.80 PPARG (0.37) TP53MAPTPOLBCYP2C8FFAR4
SCHEMBL830167 0.79 EDNRB (0.42) TP53POLBFFAR4
SCHEMBL14802300 0.79 PPARG (0.41) TP53MAPTPOLBCYP2C8P2RX7

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 4 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-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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 (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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 TP53 789/4885MAPT 1047/4885POLB 3788/4885

“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.