SCHEMBL6409923

SCHEMBL6409923

CN(C(=O)C1CCCCC1)c1cc(Cc2ccccc2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
UCHL1 P09936 2/20 0.42
USP30 Q70CQ3 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
GHSR Q92847 1/20 0.39
OPRM1 P35372 1/20 0.39
ACHE P22303 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL6409920 0.71 ALDH1A1 (0.59) NPSR1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL8819827 0.70 PKM (0.59) SMN1; SMN2LMNARAB9ANPC1ALDH1A1
SCHEMBL6403397 0.70 AGER (0.47) NPSR1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL19750331 0.69 MEN1 (0.64) NPSR1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL9001874 0.68 OPRM1 (0.45) SMN1; SMN2LMNAMEN1KMT2AOPRM1
SCHEMBL11465189 0.68 NPC1 (0.42) NPSR1UCHL1USP30RAB9ANPC1
SCHEMBL24636855 0.68 POLB (0.66) SMN1; SMN2LMNARAB9ANPC1ALDH1A1
SCHEMBL554742 0.67 SMN1; SMN2 (0.57) SMN1; SMN2RAB9AL3MBTL1ALDH1A1TDP1
SCHEMBL8879575 0.67 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL9001804 0.66 HSD17B1 (0.49) SMN1; SMN2LMNARAB9ANPC1ALDH1A1

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-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide SDS BIOTECH K.K. (JP) 2005-08-04 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-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide AHR, ERG28, CYP1A2 NPSR1 1583/4885SMN1; SMN2 4458/4885LMNA 3019/4885

“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.