SCHEMBL3608683

SCHEMBL3608683

COC(=O)c1cc(-c2nnn(C)n2)c(C(=O)OC)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
OPRD1 P41143 1/20 0.40
NPC1 O15118 2/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CSNK2A2 P19784 1/20 0.35
KDR P35968 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 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
SCHEMBL3608687 0.93 MAPK8 (0.42) MAPK8MAPK10OPRD1NPC1PKM
SCHEMBL3614033 0.82 MAPK8 (0.37) MAPK8MAPK10ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3606649 0.79 IKBKB (0.56) MAPK8MAPK10NPC1ALDH1A1KDM4E
SCHEMBL3603097 0.76 NPC1 (0.41) OPRD1NPC1PKMALDH1A1KDM4E
SCHEMBL3605131 0.72 OPRD1 (0.54) MAPK8MAPK10OPRD1NPC1PKM
SCHEMBL19207039 0.70 ABL1 (0.46) MAPK8MAPK10ALDH1A1KDM4EHSD17B10
SCHEMBL22718341 0.70 KDM4E (0.47) MAPK8MAPK10NPC1PKMALDH1A1
SCHEMBL3601669 0.69 MAPK1 (0.50) OPRD1NPC1ALDH1A1KDM4EHPGD
SCHEMBL3603100 0.69 NPC1 (0.40) OPRD1NPC1PKMALDH1A1KDM4E
SCHEMBL3606735 0.69 TRPM8 (0.41) MAPK8MAPK10NPC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 WO 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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 MAPK8 3009/4885MAPK10 3344/4885OPRD1 274/4885

“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.