SCHEMBL6530180

SCHEMBL6530180

CC(C)(C)OC(=O)[AsH]c1cc(B(O)OC(C)(C)C(C)(C)O)cc([N+](=O)[O-])c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
ALOX5 P09917 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
GALR3 O60755 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NR3C2 P08235 1/20 0.30

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
SCHEMBL5848074 0.79 SIRT2 (0.41) MAPTALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL13857793 0.77 TP53 (0.39) MAPTALOX5SMN1; SMN2NPC1MEN1
SCHEMBL557225 0.76 MEN1 (0.38) MAPTALOX5SMN1; SMN2MEN1GALR3
SCHEMBL3325221 0.73 MEN1 (0.35) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2698628 0.73 PTPRC (0.45) ALOX5SMN1; SMN2HTTKMT2AALDH1A1
SCHEMBL1608761 0.72 ALDH1A1 (0.40) ALDH1A1
SCHEMBL77037 0.66 TSHR (0.44) MAPTSMN1; SMN2MEN1HTTKMT2A
SCHEMBL2310364 0.65 ALDH1A1 (0.34) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2700555 0.64 TSHR (0.42) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL858908 0.64 HCAR3 (0.46) MAPTSMN1; SMN2NPC1RAB9AMEN1

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-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-02-24 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-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT MAPT 4321/4885ALOX5 567/4885SMN1; SMN2 4251/4885

“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.