SCHEMBL6409950

SCHEMBL6409950

O=C(Cc1ccccc1)NCc1cc(CCl)no1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 2/20 0.48
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
JAK2 O60674 1/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HSD17B2 P37059 1/20 0.44
ATM Q13315 1/20 0.43
MALT1 Q9UDY8 1/20 0.43

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
SCHEMBL6408026 0.84 NPC1 (0.50) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL6407737 0.81 HDAC6 (0.49) NPC1SMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL6409331 0.80 ALDH1A1 (0.57) SMN1; SMN2POLBALDH1A1GAAMAPT
SCHEMBL6404146 0.80 EPHX2 (0.43) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL6407803 0.79 RAB9A (0.50) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL6410130 0.78 SMN1; SMN2 (0.64) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL6408033 0.77 NPC1 (0.52) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL6409350 0.77 SMN1; SMN2 (0.39) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL6408111 0.77 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL6409345 0.76 KMT2A (0.56) RAB9ANPC1SMN1; SMN2POLBKMT2A

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 1915/4885SMN1; SMN2 4458/4885

“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.