SCHEMBL832326

SCHEMBL832326

COc1ncccc1-c1c(C(=O)O)n(Cc2ccc(F)cc2F)c2ccc([C@H]3C[C@H]3C)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.37
F2RL3 Q96RI0 2/20 0.36
P2RX3 P56373 2/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
ENPP2 Q13822 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
NAAA Q02083 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL3693520 1.00 GPR6 (0.37) GPR6F2RL3P2RX3PTGDR2ENPP2
SCHEMBL832329 0.94 HTR2A (0.36) PTGDR2HTR2AHTR2CHTR2BFFAR4
SCHEMBL12624289 0.94 HTR2A (0.36) PTGDR2HTR2AHTR2CHTR2BFFAR4
SCHEMBL832012 0.91 KMT2A (0.38) GPR6F2RL3P2RX3PTGDR2MEN1
SCHEMBL832534 0.91 KMT2A (0.38) GPR6F2RL3P2RX3PTGDR2MEN1
SCHEMBL388003 0.91 KMT2A (0.38) GPR6F2RL3P2RX3PTGDR2MEN1
SCHEMBL12665694 0.91 FABP4 (0.41) GPR6F2RL3P2RX3PTGDR2ENPP2
SCHEMBL832829 0.85 KMT2A (0.38) PTGDR2MEN1KMT2AHTR2AHTR2C
SCHEMBL832839 0.85 KMT2A (0.38) PTGDR2MEN1KMT2AHTR2AHTR2C
SCHEMBL3689437 0.85 KMT2A (0.38) PTGDR2MEN1KMT2AHTR2AHTR2C

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 GPR6 2012/4885F2RL3 1782/4885P2RX3 1125/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT GPR6 3272/4885F2RL3 2767/4885P2RX3 2904/4885

“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.