SCHEMBL4356296

SCHEMBL4356296

CNC(=O)c1cnc(-n2ccc(OCC3CCCO3)cc2=O)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.59
RAB9A P51151 10/20 0.46
SMN1; SMN2 Q16637 9/20 0.46
NPC1 O15118 9/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TP53 P04637 3/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
P2RX3 P56373 3/20 0.41
P2RX2 Q9UBL9 3/20 0.41
GRM5 P41594 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40

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 0.77 SCD (0.73) SCDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3371939 0.75 SCD (1.00) SCD
SCHEMBL3374791 0.72 SCD (0.95) SCD
SCHEMBL4356294 0.64 SCD (0.44) SCDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL13355036 0.63 GPR84 (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL14395933 0.63 KMT2A (0.67) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL28876868 0.63 HPGD (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL28322545 0.63 HPGD (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL29440964 0.63 HPGD (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL3370158 0.62 SCD (0.62) SCD

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 1/4885RAB9A 4305/4885SMN1; SMN2 3581/4885

“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.