SCHEMBL832733

SCHEMBL832733

CCOC(=O)c1c(-c2cccnc2OC)c2cc(Cl)ccc2n1CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.40
ALDH1A1 P00352 1/20 0.38
KRAS P01116 2/20 0.37
MAPT P10636 1/20 0.37
ELANE P08246 1/20 0.37
CNR1 P21554 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
PTGS2 P35354 1/20 0.36
IDO1 P14902 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PIK3CA P42336 1/20 0.36
MAPK8 P45983 1/20 0.36
CHRM4 P08173 1/20 0.36
AR P10275 1/20 0.36
KMT2A Q03164 1/20 0.36
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35

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
SCHEMBL832178 0.90 MAPK8 (0.39) PLA2G2AKRASCNR1PTGDR2PIK3CA
SCHEMBL388312 0.86 FNTA (0.44) ALDH1A1KRASKMT2A
SCHEMBL831838 0.83 PDE4A (0.42) PLA2G2AALDH1A1MAPTELANEPTGDR2
SCHEMBL829937 0.76 SCN9A (0.38) KRASPTGDR2FPR1FPR2
SCHEMBL831263 0.74 MKNK2 (0.46) PLA2G2AALDH1A1MAPTPTGDR2
SCHEMBL388313 0.74 PCSK9 (0.37) ELANEIDO1FPR1FPR2
SCHEMBL832909 0.74 PDE4A (0.43) MAPTELANEPTGS2PTGDR2MAPK8
SCHEMBL832928 0.73 MAPT (0.44) ALDH1A1MAPTELANEKMT2A
SCHEMBL832301 0.73 PTGDR2 (0.42) MAPTPTGDR2KMT2A
SCHEMBL829047 0.72 KMT2A (0.52) ALDH1A1MAPTELANEPTGDR2KMT2A

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 PLA2G2A 3678/4885ALDH1A1 1792/4885KRAS 3644/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT PLA2G2A 4022/4885ALDH1A1 800/4885KRAS 2067/4885

“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.