SCHEMBL862324

SCHEMBL862324

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
CYP2C8 P10632 1/20 0.39
HDAC1 Q13547 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC8 Q9BY41 2/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
MCL1 Q07820 1/20 0.37
PPARG P37231 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CCR2 P41597 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
MAPK8 P45983 2/20 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
SCHEMBL862037 0.95 KMT2A (0.44) KMT2ACYP2C8HDAC1HDAC6HDAC8
SCHEMBL862125 0.93 KMT2A (0.42) KMT2ACYP2C8HDAC1HDAC6HDAC8
SCHEMBL862156 0.92 KMT2A (0.42) KMT2ACYP2C8HDAC1HDAC6HDAC8
SCHEMBL862375 0.92 KMT2A (0.44) KMT2ACYP2C8HDAC1HDAC6HDAC8
SCHEMBL862357 0.92 KMT2A (0.44) KMT2ACYP2C8PTGESALOX5MCL1
SCHEMBL862067 0.92 KMT2A (0.50) KMT2ACYP2C8HDAC1HDAC6MCL1
SCHEMBL862086 0.92 KMT2A (0.42) KMT2ACYP2C8HDAC1HDAC6HDAC8
SCHEMBL862622 0.91 CYP2C8 (0.42) KMT2ACYP2C8MCL1PPARGCCR2
SCHEMBL862435 0.91 KMT2A (0.41) KMT2ACYP2C8HDAC1HDAC6HDAC8
SCHEMBL862140 0.91 KMT2A (0.47) KMT2ACYP2C8MCL1PPARGCCR2

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 321/4885CYP2C8 847/4885HDAC1 1123/4885

“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.