SCHEMBL862304

SCHEMBL862304

O=c1[nH]cccc1-c1c(CONS(=O)(=O)C2(Cc3ccccc3)CC2)n(Cc2ccccc2F)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
PARG Q86W56 3/20 0.33
OPRM1 P35372 4/20 0.32
TRPV1 Q8NER1 4/20 0.32
DDR1 Q08345 1/20 0.32
EPHX2 P34913 1/20 0.31
CYP2C8 P10632 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL832363 0.84 CYP2C8 (0.38) KMT2AGRIN1GRIN2BPARGOPRM1
SCHEMBL831901 0.77 CYP2C8 (0.38) KMT2AGRIN1GRIN2BPARGDDR1
SCHEMBL832478 0.74 CYP2C8 (0.43) KMT2AGRIN1GRIN2BPARGDDR1
SCHEMBL12673730 0.73 CYP2C8 (0.53) KMT2AGRIN1GRIN2BEPHX2CYP2C8
SCHEMBL831141 0.72 PPARG (0.41) KMT2AGRIN1GRIN2BDDR1EPHX2
SCHEMBL10256535 0.72 KMT2A (0.48) KMT2AGRIN1GRIN2BDDR1EPHX2
SCHEMBL831415 0.71 PPARG (0.46) KMT2AGRIN1GRIN2BDDR1EPHX2
SCHEMBL831591 0.71 CYP2C8 (0.39) KMT2AGRIN1GRIN2BDDR1EPHX2
SCHEMBL830972 0.71 CYP2C8 (0.42) KMT2AGRIN1GRIN2BPARGDDR1
SCHEMBL831451 0.71 CYP2C8 (0.37) KMT2AGRIN1GRIN2BPARGDDR1

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-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

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 KMT2A 321/4885GRIN1 2446/4885GRIN2B 1641/4885

“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.