SCHEMBL832329

SCHEMBL832329

COc1ncccc1-c1c(C(=O)O)n(Cc2cc(F)ccc2F)c2ccc([C@H]3C[C@H]3C)cc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
FFAR4 Q5NUL3 3/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
EDNRB P24530 7/20 0.34
EDNRA P25101 5/20 0.34
FABP4 P15090 1/20 0.34
PPARG P37231 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL12624289 1.00 HTR2A (0.36) HTR2AHTR2CHTR2BPTGDR2FFAR4
SCHEMBL832326 0.94 GPR6 (0.37) HTR2AHTR2CHTR2BPTGDR2FFAR4
SCHEMBL3693520 0.94 GPR6 (0.37) HTR2AHTR2CHTR2BPTGDR2FFAR4
SCHEMBL3689437 0.91 KMT2A (0.38) HTR2AHTR2CHTR2BPTGDR2KDM1A
SCHEMBL832839 0.91 KMT2A (0.38) HTR2AHTR2CHTR2BPTGDR2KDM1A
SCHEMBL832829 0.91 KMT2A (0.38) HTR2AHTR2CHTR2BPTGDR2KDM1A
SCHEMBL388003 0.85 KMT2A (0.38) HTR2AHTR2CHTR2BPTGDR2KDM1A
SCHEMBL832012 0.85 KMT2A (0.38) HTR2AHTR2CHTR2BPTGDR2KDM1A
SCHEMBL832534 0.85 KMT2A (0.38) HTR2AHTR2CHTR2BPTGDR2KDM1A
SCHEMBL830167 0.85 EDNRB (0.42) PTGDR2FFAR4EDNRBEDNRATP53

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-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 (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 HTR2A 111/4885HTR2C 89/4885HTR2B 464/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 HTR2A 24/4885HTR2C 17/4885HTR2B 117/4885

“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.