SCHEMBL744113

SCHEMBL744113

CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3cccs3)C2)C1c1ccc(OC)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.79
HSD17B10 Q99714 9/20 0.79
CASP1 P29466 4/20 0.79
CASP7 P55210 4/20 0.79
POLB P06746 3/20 0.79
LMNA P02545 3/20 0.70
AGTR1 P30556 1/20 0.70
ALDH1A1 P00352 8/20 0.69
HPGD P15428 4/20 0.69
USP2 O75604 3/20 0.60
TSHR P16473 2/20 0.60
ALOX15 P16050 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL5476396 0.85 KDM4E (0.68) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL3323110 0.82 KDM4E (0.64) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL3327953 0.80 KDM4E (0.56) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL5332407 0.80 KDM4E (0.68) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL3324953 0.79 ALDH1A1 (0.53) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL3323761 0.79 KDM4E (0.62) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL3330007 0.79 KDM4E (0.54) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL5309983 0.78 KDM4E (0.68) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL12135697 0.78 KDM4E (0.76) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL13333412 0.78 KDM4E (0.55) KDM4EHSD17B10CASP1CASP7POLB

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-8138356-B2 Chemical inhibitors of inhibitors of differentiation Angiogeney, Inc. (US) 2012-03-20 US disclosed
US-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation ANGIOGENEX 2009-09-10 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-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation BRAF, MAPK1, RAF1 KDM4E 1876/4885HSD17B10 3456/4885CASP1 155/4885

“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.