SCHEMBL18211689

SCHEMBL18211689

CC(=O)N1CCCC(n2cnc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
GAA P10253 3/20 0.39
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP30 Q70CQ3 1/20 0.36
TP53 P04637 1/20 0.35
HTR2A P28223 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
NPC1 O15118 2/20 0.34
OPRM1 P35372 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
SCHEMBL18136720 0.90 USP30 (0.42) HPGDGAAHSD17B10ALDH1A1MEN1
SCHEMBL18136675 0.87 USP30 (0.51) HPGDGAAALDH1A1MEN1KMT2A
SCHEMBL17678078 0.84 OPRM1 (0.41) HPGDGAAHSD17B10ALDH1A1TP53
SCHEMBL17673989 0.82 OPRM1 (0.40) GAAHSD17B10ALDH1A1TP53OPRM1
SCHEMBL18136607 0.80 HPGD (0.43) HPGDGAAKDM6BKDM4AKDM5C
SCHEMBL15206849 0.78 USP30 (0.51) HPGDGAAALDH1A1MEN1KMT2A
SCHEMBL18136661 0.78 PRKCI (0.48) GAAHSD17B10HCAR1OPRM1OPRL1
SCHEMBL17674137 0.78 LRRK2 (0.37) OPRM1OPRL1PRMT5
SCHEMBL15205923 0.77 ALDH1A1 (0.43) HPGDGAAHSD17B10ALDH1A1USP30
SCHEMBL15205931 0.77 ALDH1A1 (0.43) HPGDGAAHSD17B10ALDH1A1USP30

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 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-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP4K2, PLK1 HPGD 2065/4885GAA 2846/4885KDM6B 2398/4885

“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.