SCHEMBL6408080

SCHEMBL6408080

CCC(NC(=O)NCc1cc(-c2ccccc2)no1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.48
TACR2 P21452 2/20 0.48
LMNA P02545 2/20 0.48
EPHX2 P34913 2/20 0.48
POLB P06746 2/20 0.48
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 1/20 0.46
NOTUM Q6P988 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
JAK2 O60674 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL6405901 0.79 LMNA (0.61) LMNAPOLBSMN1; SMN2CYP1A2NOTUM
SCHEMBL23451628 0.78 POLB (0.75) LMNAPOLBSMN1; SMN2CYP1A2NOTUM
SCHEMBL6401623 0.77 NOTUM (0.61) LMNAPOLBROCK2SMN1; SMN2CYP1A2
SCHEMBL6406637 0.76 LMNA (0.58) LMNAPOLBROCK2SMN1; SMN2CYP1A2
SCHEMBL31686338 0.75 NOTUM (0.58) LMNAEPHX2POLBROCK2SMN1; SMN2
SCHEMBL6408074 0.74 POLB (0.50) TACR3LMNAEPHX2POLBSMN1; SMN2
SCHEMBL6408055 0.73 HTT (0.54) POLBROCK2ROCK1SMN1; SMN2CYP1A2
SCHEMBL8923076 0.73 EPHX2 (0.67) TACR3TACR2LMNAEPHX2ROCK2
SCHEMBL11487647 0.72 POLB (0.53) LMNAPOLBSMN1; SMN2CYP1A2NOTUM
SCHEMBL6404121 0.72 POLB (0.53) LMNAPOLBSMN1; SMN2CYP1A2NOTUM

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 TACR3 1994/4885TACR2 2976/4885LMNA 3019/4885

“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.