SCHEMBL9945281

SCHEMBL9945281

CC/C(C)=N/OCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP10 Q53GL7 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
SYK P43405 5/20 0.39
AURKB Q96GD4 4/20 0.39
INCENP Q9NQS7 4/20 0.39
KDM4E B2RXH2 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL15865998 0.85 SMN1; SMN2 (0.46) SMN1; SMN2NPC1LMNARAB9AL3MBTL1
SCHEMBL9944318 0.79 NPC1 (0.42) SMN1; SMN2NPC1LMNARAB9AL3MBTL1
SCHEMBL12072300 0.74 NPC1 (0.46) SMN1; SMN2NPC1LMNARAB9AL3MBTL1
SCHEMBL9945413 0.74 NPC1 (0.46) SMN1; SMN2NPC1LMNARAB9AL3MBTL1
SCHEMBL5352809 0.73 PARP10 (0.35) SMN1; SMN2NPC1LMNARAB9AL3MBTL1
SCHEMBL5352804 0.73 PARP10 (0.35) SMN1; SMN2NPC1LMNARAB9AL3MBTL1
SCHEMBL9945448 0.72 SMN1; SMN2 (0.43) SMN1; SMN2NPC1LMNARAB9APARP10
SCHEMBL14075065 0.72 SMN1; SMN2 (0.45) SMN1; SMN2NPC1LMNARAB9APARP10
SCHEMBL8472048 0.72 SMN1; SMN2 (0.49) SMN1; SMN2NPC1LMNARAB9APARP10
SCHEMBL15865983 0.71 ALDH1A1 (0.45) SMN1; SMN2NPC1LMNARAB9APARP10

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-20120149707-A1 ALPHA-ARYLMETHOXYACRYLATE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME OSCOTEC INC. (KR) 2012-06-14 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-20120149707-A1 ALPHA-ARYLMETHOXYACRYLATE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME HIF1A, HIF1AN, EGLN3 SMN1; SMN2 3764/4885NPC1 3736/4885LMNA 1936/4885

“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.