SCHEMBL6407948

SCHEMBL6407948

O=C(NCc1cc(COc2ccccc2)no1)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.45
ACHE P22303 3/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MDM2 Q00987 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
SCHEMBL6407914 0.89 RAB9A (0.48) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL6406598 0.83 LMNA (0.61) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL6407567 0.83 KMT2A (0.55) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL6408021 0.81 BCHE (0.42) BCHEACHERAB9ANPC1SMN1; SMN2
SCHEMBL6404110 0.78 RAB9A (0.41) RAB9ANPC1SMN1; SMN2TDP1MAPT
SCHEMBL6403186 0.77 KMT2A (0.53) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL6407737 0.76 HDAC6 (0.49) NPC1SMN1; SMN2POLBALDH1A1TDP1
SCHEMBL6405248 0.75 POLB (0.57) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL6405981 0.75 NPC1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL6405950 0.75 NPC1 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1HTT

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 BCHE 2311/4885ACHE 2706/4885RAB9A 4044/4885

“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.