SCHEMBL862510

SCHEMBL862510

CCS(=O)(=O)NC(=O)c1c(-c2cccnc2OC)c2cc(C)ccc2n1Cc1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.38
TP53 P04637 2/20 0.37
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
GPR6 P46095 1/20 0.37
MAPT P10636 2/20 0.36
YWHAH Q04917 1/20 0.36
POLB P06746 1/20 0.36
RORC P51449 1/20 0.35
ADAM17 P78536 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ECE1 P42892 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL862534 0.91 LMNA (0.38) KMT2AMEN1LMNAPTGDR2TP53
SCHEMBL829913 0.90 PPARG (0.42) KMT2AMEN1LMNAPTGDR2TP53
SCHEMBL830093 0.87 KMT2A (0.45) KMT2AMEN1PTGDR2TP53MGAM
SCHEMBL829047 0.86 KMT2A (0.52) KMT2AMEN1LMNAPTGDR2TP53
SCHEMBL6123087 0.86 KMT2A (0.40) KMT2AMEN1LMNAPTGDR2TP53
SCHEMBL832215 0.83 KMT2A (0.40) KMT2AMEN1LMNAPTGDR2TP53
SCHEMBL14802293 0.82 PPARG (0.39) KMT2AMEN1LMNATP53GPR6
SCHEMBL833144 0.81 CYP2C8 (0.45) KMT2AMEN1LMNAPTGDR2TP53
SCHEMBL829588 0.80 PPARG (0.44) KMT2AMEN1LMNAPTGDR2TP53
SCHEMBL831908 0.79 KMT2A (0.43) KMT2AMEN1PTGDR2MGAMGAA

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 321/4885MEN1 2084/4885LMNA 3804/4885

“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.