SCHEMBL832949

SCHEMBL832949

CCOC(=O)c1c(-c2cccnc2OC)c2cc(Cl)c(Cl)cc2n1Cc1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 4/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
P2RX7 Q99572 1/20 0.38
EED O75530 1/20 0.38
SUZ12 Q15022 1/20 0.38
EZH2 Q15910 1/20 0.38
P2RX3 P56373 1/20 0.37
LMNA P02545 1/20 0.37
GPR6 P46095 1/20 0.37
GRM7 Q14831 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
F2RL3 Q96RI0 1/20 0.36

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
SCHEMBL832811 0.90 TP53 (0.43) KMT2AMEN1TP53MAPTP2RX7
SCHEMBL832805 0.89 PKM (0.44) KMT2AMEN1MAPTALDH1A1EED
SCHEMBL832322 0.85 KMT2A (0.41) KMT2AMEN1ALDH1A1EEDSUZ12
SCHEMBL12674044 0.85 KMT2A (0.39) KMT2AMEN1ALDH1A1EEDSUZ12
SCHEMBL862452 0.85 SCN9A (0.42)
SCHEMBL832534 0.84 KMT2A (0.38) KMT2AMEN1ALDH1A1EEDSUZ12
SCHEMBL832012 0.84 KMT2A (0.38) KMT2AMEN1ALDH1A1EEDSUZ12
SCHEMBL388003 0.84 KMT2A (0.38) KMT2AMEN1ALDH1A1EEDSUZ12
SCHEMBL832321 0.83 F2RL3 (0.42) KMT2AMEN1MAPTEEDSUZ12
SCHEMBL387636 0.83 F2RL3 (0.43) KMT2AMEN1EEDSUZ12EZH2

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 KMT2A 321/4885MEN1 2084/4885TP53 789/4885

“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.