SCHEMBL6928281

SCHEMBL6928281

Cc1ccc2[nH]c(-c3ccc(Br)cc3)c(C(C)C(=O)N(C)C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.43
TLR7 Q9NYK1 6/20 0.43
TACR1 P25103 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
MC4R P32245 1/20 0.39
SIRT1 Q96EB6 1/20 0.38
TLR9 Q9NR96 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
KIF11 P52732 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL7799889 0.80 TSPO (0.50) TLR8TLR7CYP1A2HPGDCYP2C19
SCHEMBL6928285 0.74 TACR1 (0.55) TACR1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL28281349 0.72 MC4R (0.51) HPGDMC4RTLR9MEN1NPC1
SCHEMBL7238037 0.70 PTGS2 (0.55) CYP1A2HPGDCYP2C19SIRT1MEN1
SCHEMBL31006355 0.69 EGFR (0.60) TACR1MC4RMEN1KMT2A
SCHEMBL22118483 0.69 EGFR (0.60) TACR1MC4RMEN1KMT2A
SCHEMBL6979361 0.65 KIF11 (0.55) HPGDMEN1NPC1POLBKMT2A
SCHEMBL7237905 0.65 PTGS2 (0.59) CYP1A2HPGDCYP2C19SIRT1MEN1
SCHEMBL20327619 0.65 KIF11 (0.59) HPGDMEN1NPC1POLBKMT2A
SCHEMBL27587306 0.64 TSPO (0.47) CYP1A2HPGDCYP2C19SIRT1MEN1

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-6518273-B1 2-aryl indole derivative as antagonists of tachykinins MERCK SHARP & DOHME LTD. 2003-02-11 US disclosed
US-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents DINNELL KEVIN (GB) 2001-11-08 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-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents IDO1, IDO2, CNR2 TLR8 1305/4885TLR7 752/4885TACR1 1285/4885

“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.