SCHEMBL6407440

SCHEMBL6407440

CC(C)c1cc(CNC(=O)Nc2ccccc2)on1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 6/20 0.47
NPC1 O15118 6/20 0.47
POLB P06746 1/20 0.47
MAOB P27338 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
LIPC P11150 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL6404881 0.82 SLC5A7 (0.59) EPHX2SMN1; SMN2ATMRAB9ANPC1
SCHEMBL6410130 0.80 SMN1; SMN2 (0.64) EPHX2SMN1; SMN2ATMALDH1A1RAB9A
SCHEMBL6408017 0.80 SMN1; SMN2 (0.53) EPHX2SMN1; SMN2ATMRAB9ANPC1
SCHEMBL6410124 0.79 SMN1; SMN2 (0.52) EPHX2SMN1; SMN2ATMRAB9ANPC1
SCHEMBL6407803 0.78 RAB9A (0.50) SMN1; SMN2ALDH1A1RAB9ANPC1POLB
SCHEMBL6405937 0.77 NPC1 (0.56) EPHX2SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL6408138 0.77 SMN1; SMN2 (0.55) EPHX2SMN1; SMN2ATMRAB9ANPC1
SCHEMBL6403203 0.72 EPHX2 (0.61) EPHX2SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL6408055 0.72 HTT (0.54) SMN1; SMN2ALDH1A1POLBHTT
SCHEMBL6408040 0.72 POLB (0.62) SMN1; SMN2ALDH1A1RAB9ANPC1POLB

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 EPHX2 2961/4885SMN1; SMN2 4458/4885ATM 1728/4885

“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.