SCHEMBL2215034

SCHEMBL2215034

COc1cc(C=O)ncc1-c1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALOX12 P18054 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
GAK O14976 10/20 0.38
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
MTOR P42345 4/20 0.34
PIK3CA P42336 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LRRK2 Q5S007 1/20 0.33
KIT P10721 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL2215027 0.84 LRRK2 (0.43) MEN1NPC1ALOX12RAB9AKMT2A
SCHEMBL2213596 0.80 GAK (0.37) RAB9AKMT2AGAKKDM4EHTT
SCHEMBL2212136 0.78 TDP1 (0.39) KMT2AGAKKDM4EHPGDHTT
SCHEMBL2216714 0.75 GAA (0.38) MEN1KMT2AGAKTSHRNPSR1
SCHEMBL2215304 0.75 LRRK2 (0.42) MEN1NPC1ALOX12RAB9AKMT2A
SCHEMBL2215615 0.73 TDP1 (0.42) NPC1RAB9AKMT2ATSHRNPSR1
SCHEMBL2215311 0.73 GAK (0.39) MEN1RAB9AKMT2AGAKKDM4E
SCHEMBL2217662 0.72 LRRK2 (0.41) GAKTSHRNPSR1MTORPIK3CA
SCHEMBL2212641 0.72 CNR2 (0.43) MEN1KMT2AGAKTSHRKDM4E
SCHEMBL2214863 0.72 GAK (0.36) MEN1RAB9AKMT2AGAKKDM4E

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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX MEN1 2336/4885NPC1 531/4885ALOX12 3612/4885

“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.