SCHEMBL6402371

SCHEMBL6402371

O=C(O)N(Cc1cc(-c2cccs2)no1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
DRD2 P14416 6/20 0.44
DRD4 P21917 6/20 0.44
DRD3 P35462 6/20 0.44
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
GSTO1 P78417 1/20 0.38
MCL1 Q07820 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
SCHEMBL6434804 0.79 CA12 (0.44) CA12CA9RAB9ANPC1KDM4E
SCHEMBL6403916 0.77 NPC1 (0.50) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL6409336 0.77 NOTUM (0.55) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6408092 0.77 CHRNB2 (0.55) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6409980 0.77 RAB9A (0.48) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL6404913 0.77 ALDH1A1 (0.43) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL6408613 0.75 NOTUM (0.55) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL6402481 0.74 HPGD (0.59) CA12CA9RAB9ANPC1KDM4E
SCHEMBL5438790 0.72 TRPM8 (0.58) LMNATP53TSHR
SCHEMBL6409269 0.72 S1PR3 (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1

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 CA12 4673/4885CA9 4404/4885DRD2 214/4885

“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.