SCHEMBL4356294

SCHEMBL4356294

CC1(n2ccc(OCC3CCCO3)cc2=O)NC=C(C(N)=O)S1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.44
IRAK4 Q9NWZ3 3/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 6/20 0.37
NPC1 O15118 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.37
MCHR1 Q99705 1/20 0.37
GPR84 Q9NQS5 2/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL4356301 0.70 SCD (0.73) SCDIRAK4HPGDRAB9ANPC1
SCHEMBL3025474 0.66 RAB9A (0.65) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4356296 0.64 SCD (0.59) SCDHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL3019067 0.62 RAB9A (0.67) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13355036 0.61 GPR84 (0.46) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13937031 0.61 RAB9A (0.65) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL29440964 0.60 HPGD (0.60) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL28322545 0.60 HPGD (0.60) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL28876868 0.60 HPGD (0.60) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL16519569 0.60 MAOB (0.52) HPGDRAB9ANPC1SMN1; SMN2MAPT

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-20090156615-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 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-20090156615-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885IRAK4 3914/4885HPGD 344/4885

“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.