SCHEMBL832544

SCHEMBL832544

CCOC(=O)c1c(-c2cccnc2OC)c2cc(O[Si](C)(C)C(C)(C)C)ccc2n1Cc1cc(F)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PPARG P37231 2/20 0.36
CYP2C19 P33261 1/20 0.36
EDNRB P24530 3/20 0.36
F2RL3 Q96RI0 2/20 0.35
EED O75530 3/20 0.35
SUZ12 Q15022 2/20 0.35
EZH2 Q15910 2/20 0.35
GRM7 Q14831 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
GNRHR P30968 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
SCHEMBL832321 0.94 F2RL3 (0.42) KMT2AMEN1CYP2C19EDNRBF2RL3
SCHEMBL832410 0.90 EDNRB (0.44) KMT2AMEN1PPARGEDNRBF2RL3
SCHEMBL829986 0.87 KMT2A (0.39) KMT2AMEN1PPARGCYP2C19EDNRB
SCHEMBL12890682 0.86 KMT2A (0.40) KMT2AMEN1PPARGEDNRBEED
SCHEMBL832053 0.86 PKM (0.44) KMT2AMEN1PPARGEEDSUZ12
SCHEMBL12890680 0.86 KMT2A (0.41) KMT2AMEN1PPARGEDNRBEED
SCHEMBL829212 0.85 GABRA1 (0.42) KMT2AMEN1PPARGEEDSUZ12
SCHEMBL832056 0.83 KMT2A (0.41) KMT2AMEN1PPARGEEDSUZ12
SCHEMBL832411 0.82 EDNRB (0.49) PPARGEDNRBMAPT
SCHEMBL832829 0.82 KMT2A (0.38) KMT2AMEN1PPARGEEDSUZ12

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-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

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 KMT2A 1322/4885MEN1 1177/4885PPARG 3860/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 KMT2A 321/4885MEN1 2084/4885PPARG 4093/4885

“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.