SCHEMBL6403802

SCHEMBL6403802

Cc1ccc(C(=O)NCc2cc(-c3ccncc3)no2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.57
PRKCA P17252 1/20 0.57
GRK2 P25098 1/20 0.57
SMN1; SMN2 Q16637 6/20 0.51
POLB P06746 3/20 0.51
HTT P42858 3/20 0.51
CYP3A4 P08684 2/20 0.51
MMP2 P08253 1/20 0.51
STAT3 P40763 1/20 0.51
MMP13 P45452 1/20 0.51
MAPK14 Q16539 1/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HDAC1 Q13547 2/20 0.50
KDM1A O60341 1/20 0.50
CYP1A2 P05177 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47

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
SCHEMBL6407970 0.92 POLB (0.59) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL6403149 0.89 NPC1 (0.57) ROCK2PRKCAGRK2SMN1; SMN2POLB
SCHEMBL6404127 0.88 POLB (0.54) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL6410101 0.88 POLB (0.54) ROCK2PRKCAGRK2SMN1; SMN2POLB
SCHEMBL6408022 0.87 CYP2E1 (0.53) ROCK2PRKCAGRK2SMN1; SMN2POLB
SCHEMBL6404351 0.87 SMN1; SMN2 (0.57) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL6403578 0.87 EPHX2 (0.54) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL6409325 0.86 NPC1 (0.64) ROCK2PRKCAGRK2SMN1; SMN2POLB
SCHEMBL6403487 0.85 ALDH1A1 (0.58) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL6406040 0.85 POLB (0.51) SMN1; SMN2POLBHTTNPC1RAB9A

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 ROCK2 4171/4885PRKCA 4710/4885GRK2 130/4885

“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.