SCHEMBL13524969

SCHEMBL13524969

COC(=O)CNOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
STAT3 P40763 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
ALOX5 P09917 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 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
SCHEMBL12870190 0.85 STAT3 (0.46) ALDH1A1GAARAB9AKMT2AMEN1
SCHEMBL11545447 0.78 ALDH1A1 (0.53) ALDH1A1GAAHPGDSMN1; SMN2KMT2A
SCHEMBL12045345 0.77 L3MBTL1 (0.48) ALDH1A1GAAKMT2AMEN1CA12
SCHEMBL570839 0.77 ALDH1A1 (0.73) ALDH1A1GAAKDM4ENPC1HPGD
SCHEMBL13956708 0.77 ALDH1A1 (0.44) ALDH1A1GAAHPGDSMN1; SMN2KMT2A
SCHEMBL8866856 0.77 STAT3 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1STAT3
SCHEMBL17222796 0.76 ALDH1A1 (0.49) ALDH1A1RAB9AKMT2AMEN1STAT3
SCHEMBL12522073 0.76 ALDH1A1 (0.43) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL14018774 0.75 ALDH1A1 (0.45) ALDH1A1GAAHPGDSMN1; SMN2KMT2A
SCHEMBL28486120 0.75 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2KMT2AMEN1

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-20090022772-A1 BIOABSORBABLE ELASTOMERIC ARTERIAL SUPPORT DEVICE AND METHODS OF USE MEDIVAS, LLC (US) 2009-01-22 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-20090022772-A1 BIOABSORBABLE ELASTOMERIC ARTERIAL SUPPORT DEVICE AND METHODS OF USE BCAT1, VEGFA, ADM2 ALDH1A1 1846/4885GAA 1775/4885KDM4E 807/4885

“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.