SCHEMBL6404110

SCHEMBL6404110

C=C(C(=O)NCc1cc(COc2ccccc2)no1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM5 P41594 1/20 0.38
NR4A2 P43354 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL6407914 0.86 RAB9A (0.48) RAB9ANPC1TDP1SMN1; SMN2MEN1
SCHEMBL6409350 0.83 SMN1; SMN2 (0.39) RAB9ANPC1TDP1SMN1; SMN2L3MBTL1
SCHEMBL6407567 0.78 KMT2A (0.55) RAB9ANPC1TDP1MAPTSMN1; SMN2
SCHEMBL6407948 0.78 BCHE (0.45) RAB9ANPC1TDP1MAPTSMN1; SMN2
SCHEMBL6404107 0.76 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL6405950 0.76 NPC1 (0.55) RAB9ANPC1SMN1; SMN2GRM5MEN1
SCHEMBL6404106 0.76 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL6403210 0.76 EPHX1 (0.51) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL6407407 0.75 EPHX1 (0.53) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL6403186 0.72 KMT2A (0.53) RAB9ANPC1TDP1MAPTSMN1; SMN2

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 RAB9A 4044/4885NPC1 1915/4885TDP1 1721/4885

“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.