SCHEMBL6408055

SCHEMBL6408055

O=C(NCc1cc(-c2ccccc2)no1)Nc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
ROCK2 O75116 2/20 0.54
PRKCA P17252 1/20 0.54
GRK2 P25098 1/20 0.54
ROCK1 Q13464 1/20 0.53
NAMPT P43490 8/20 0.53
NOTUM Q6P988 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
JAK2 O60674 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 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
SCHEMBL6403360 0.87 SIRT2 (0.55) ROCK2PRKCAGRK2NAMPTNOTUM
SCHEMBL6408040 0.87 POLB (0.62) HTTNOTUMALDH1A1POLBSMN1; SMN2
SCHEMBL6405148 0.85 NAMPT (0.53) HTTNAMPTNOTUMALDH1A1POLB
SCHEMBL6405937 0.84 NPC1 (0.56) HTTALDH1A1POLBSMN1; SMN2JAK2
SCHEMBL6405193 0.82 MAPT (0.62) HTTALDH1A1POLBSMN1; SMN2JAK2
SCHEMBL6402683 0.82 NTRK1 (0.48) HTTNOTUMALDH1A1POLBSMN1; SMN2
SCHEMBL5658056 0.80 TRPV1 (0.58)
SCHEMBL6401623 0.80 NOTUM (0.61) HTTROCK2PRKCAGRK2NOTUM
SCHEMBL6410100 0.80 HTT (0.57) HTTNOTUMALDH1A1POLBSMN1; SMN2
SCHEMBL23451628 0.78 POLB (0.75) HTTNOTUMALDH1A1POLBSMN1; SMN2

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 HTT 483/4885ROCK2 4171/4885PRKCA 4710/4885

“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.