SCHEMBL5316276

SCHEMBL5316276

N#Cc1ccc(COC(N)=O)cc1.NC(O)=S

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
MAOB P27338 1/20 0.44
CTBP2 P56545 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
IDO1 P14902 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KCNH2 Q12809 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL114536 0.93 GAA (0.54) GAATSHRTDP1RAB9AHTT
SCHEMBL20497334 0.89 GAA (0.50) GAATSHRTDP1RAB9ALOXL2
SCHEMBL28802695 0.86 PARP10 (0.59) GAATSHRTDP1RAB9AMAOB
SCHEMBL30034400 0.84 EPHX2 (0.45) GAATSHRTDP1RAB9ALOXL2
SCHEMBL11844391 0.81 GAA (0.51) GAATSHRTDP1RAB9AHTT
SCHEMBL30736424 0.81 MAOB (0.50) GAATSHRTDP1RAB9AHTT
Hydrochloric Acid SCHEMBL11844386 0.80 GAA (0.50) GAATSHRTDP1RAB9AHTT
SCHEMBL30437401 0.78 KMT2A (0.50) TDP1IDO1L3MBTL1PARP10SMN1; SMN2
SCHEMBL29034684 0.78 MAPK8 (0.45) GAATSHRTDP1RAB9AHTT
SCHEMBL6646091 0.77 MAOB (0.59) GAATSHRTDP1RAB9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280732-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-09-29 US disclosed
EP-3056487-A1 SYNTHESIS OF ENONE INTERMEDIATE President and Fellows of Harvard College (US) 2016-08-17 EP disclosed
EP-2487160-A1 Synthesis of Enone Intermediate President and Fellows of Harvard College (US) 2012-08-15 EP disclosed
WO-2007008226-A2 PALLADIUM-CATALYZED CARBON-CARBON BOND FORMING REACTIONS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-01-18 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-20160280732-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF RDX, RPS4X, MLX GAA 712/4885TSHR 1099/4885TDP1 3442/4885

“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.