SCHEMBL6545892

SCHEMBL6545892

C=CCCNP(=O)(OCC=C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
AOX1 Q06278 1/20 0.37
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA4 P22748 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.34
IDH1 O75874 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LIG1 P18858 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL6545960 0.89 GAA (0.40) SMN1; SMN2PKMCA2CA12CA1
SCHEMBL331731 0.73 PKM (0.49) SMN1; SMN2PKMAOX1CA2CA4
SCHEMBL4948416 0.73 MEN1 (0.53) SMN1; SMN2PKMAOX1CA2CA4
SCHEMBL8652973 0.70 PKM (0.46) SMN1; SMN2PKMAOX1CA2CA4
SCHEMBL3468614 0.70 TSHR (0.50) SMN1; SMN2PKMCA2CA12CA1
SCHEMBL6546064 0.70 RAB9A (0.44) SMN1; SMN2ALDH1A1LMNA
SCHEMBL26346922 0.70 MEN1 (0.44) SMN1; SMN2PKMIDH1MEN1KMT2A
SCHEMBL29211568 0.70 MEN1 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL11319680 0.69 SMN1; SMN2 (0.45) SMN1; SMN2PKMAOX1CA2CA4
SCHEMBL9940137 0.69 PKM (0.45) SMN1; SMN2PKMAOX1CA2CA4

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
EP-1379533-A2 NOVEL CYCLO AZAPHOSPHA HYDROCARBONS Leo Pharma A/S (DK) 2004-01-14 EP disclosed
US-6605742-B2 Rheumatic diseases; antiarthritic agents; antitumor agents LEO PHARMA A/S (DK) 2003-08-12 US disclosed
US-20020177706-A1 Novel cyclo azaphospha hydrocarbons LEO PHARMA A/S (DK) 2002-11-28 US disclosed
WO-2002083696-A2 NOVEL CYCLO AZAPHOSPHA HYDROCARBONS LEO PHARMA A/S (DK) 2002-10-24 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-20020177706-A1 Novel cyclo azaphospha hydrocarbons CMA1, MMP9, CPA1 SMN1; SMN2 4648/4885PKM 4358/4885AOX1 377/4885

“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.