SCHEMBL831456

SCHEMBL831456

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(C(=O)N2CCOCC2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
THRB P10828 3/20 0.35
MAPT P10636 2/20 0.35
CYP2C8 P10632 1/20 0.35
PARP1 P09874 2/20 0.34
NTRK1 P04629 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL832285 0.95 S1PR3 (0.35) CNR2CYP2C8PARP1
SCHEMBL831983 0.89 CYP2C8 (0.37) CYP2C8MEN1KMT2A
SCHEMBL831683 0.88 CYP2C8 (0.38) CYP2C8MEN1KMT2AHDAC1HDAC6
SCHEMBL832356 0.87 CYP2C8 (0.40) CYP2C8KMT2A
SCHEMBL831751 0.86 CYP2C8 (0.41) MAPTCYP2C8MEN1KMT2A
SCHEMBL831639 0.86 CYP2C8 (0.37) CYP2C8KMT2A
SCHEMBL831551 0.85 SCN9A (0.40) CYP2C8
SCHEMBL831325 0.85 CYP2C8 (0.37) MAPTCYP2C8MEN1KMT2A
SCHEMBL10264023 0.85 CYP2C8 (0.36) MAPTCYP2C8
SCHEMBL832296 0.85 CYP2C8 (0.36) CYP2C8KMT2A

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 CNR2 177/4885THRB 2954/4885MAPT 1047/4885

“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.