SCHEMBL832410

SCHEMBL832410

CCOC(=O)c1c(-c2cccnc2OC)c2cc(OCC)ccc2n1Cc1cc(F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PPARG P37231 1/20 0.39
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 2/20 0.38
GRM7 Q14831 1/20 0.38
EED O75530 2/20 0.37
SUZ12 Q15022 2/20 0.37
EZH2 Q15910 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
F2RL3 Q96RI0 1/20 0.37

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
SCHEMBL832411 0.92 EDNRB (0.49) EDNRBPPARGTP53RXFP1MAPT
SCHEMBL832053 0.91 PKM (0.44) KMT2AMEN1PPARGMAPTGRM7
SCHEMBL12890680 0.90 KMT2A (0.41) EDNRBKMT2AMEN1PPARGMAPT
SCHEMBL829986 0.90 KMT2A (0.39) EDNRBKMT2AMEN1PPARGEED
SCHEMBL832544 0.90 KMT2A (0.37) EDNRBKMT2AMEN1PPARGMAPT
SCHEMBL12890682 0.90 KMT2A (0.40) EDNRBKMT2AMEN1PPARGMAPT
SCHEMBL832056 0.88 KMT2A (0.41) KMT2AMEN1PPARGMAPTGRM7
SCHEMBL829212 0.87 GABRA1 (0.42) KMT2AMEN1PPARGGRM7EED
SCHEMBL862647 0.87 EDNRB (0.41) EDNRBPPARG
SCHEMBL832829 0.86 KMT2A (0.38) KMT2AMEN1PPARGGRM7EED

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 6 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 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
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 EDNRB 1647/4885KMT2A 1322/4885MEN1 1177/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 EDNRB 1094/4885KMT2A 321/4885MEN1 2084/4885

“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.