SCHEMBL6545960

SCHEMBL6545960

C=CCCNP(=O)(OCC=C)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
TGM2 P21980 1/20 0.36
CA9 Q16790 4/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
MMP2 P08253 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PGR P06401 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL6545892 0.89 SMN1; SMN2 (0.40) SMN1; SMN2CA9CA12CA1CA2
SCHEMBL6546064 0.81 RAB9A (0.44) GAASMN1; SMN2RAB9AGLAHTT
SCHEMBL6545924 0.72 GAA (0.43) GAASMN1; SMN2RAB9AGLAHTT
Diphenylether SCHEMBL28670517 0.71 SMN1; SMN2 (0.47) GAASMN1; SMN2RAB9AGLAHTT
Diphenylether SCHEMBL23151830 0.70 SMN1; SMN2 (0.46) GAASMN1; SMN2RAB9AGLAHTT
SCHEMBL29211568 0.70 MEN1 (0.56) GAASMN1; SMN2HTTALDH1A1MEN1
SCHEMBL26346922 0.70 MEN1 (0.44) GAASMN1; SMN2RAB9AGLAHTT
SCHEMBL11884152 0.70 GAA (0.46) GAASMN1; SMN2RAB9AGLAHTT
SCHEMBL26346910 0.66 HTT (0.40) GAASMN1; SMN2RAB9AGLAHTT
SCHEMBL5973615 0.65 LTA4H (0.55) GAASMN1; SMN2RAB9AGLAHTT

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 GAA 701/4885SMN1; SMN2 4648/4885RAB9A 2774/4885

“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.