SCHEMBL6404893

SCHEMBL6404893

O=C(NCc1cc(-c2ccc(Br)cc2)no1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.56
PRKCA P17252 1/20 0.56
GRK2 P25098 1/20 0.56
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
JAK2 O60674 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 1/20 0.51
LMNA P02545 3/20 0.50
HDAC6 Q9UBN7 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SENP1 Q9P0U3 1/20 0.48
NOTUM Q6P988 1/20 0.48
HPGD P15428 1/20 0.47
MAPT P10636 1/20 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
SCHEMBL6404124 0.89 POLB (0.69) ROCK2PRKCAGRK2POLBSMN1; SMN2
SCHEMBL6409325 0.89 NPC1 (0.64) ROCK2PRKCAGRK2POLBSMN1; SMN2
SCHEMBL6405128 0.86 ROCK2 (0.56) ROCK2PRKCAGRK2POLBSMN1; SMN2
SCHEMBL6402577 0.85 SMN1; SMN2 (0.72) ROCK2PRKCAGRK2POLBSMN1; SMN2
SCHEMBL6403008 0.84 ALDH1A1 (0.54) ROCK2PRKCAGRK2POLBSMN1; SMN2
SCHEMBL6403149 0.84 NPC1 (0.57) ROCK2PRKCAGRK2POLBSMN1; SMN2
SCHEMBL6403827 0.84 POLB (0.65) ROCK2PRKCAGRK2POLBSMN1; SMN2
SCHEMBL6407970 0.82 POLB (0.59) POLBSMN1; SMN2ALDH1A1HTTJAK2
SCHEMBL6407394 0.81 LMNA (0.56) ROCK2PRKCAGRK2POLBSMN1; SMN2
SCHEMBL6405133 0.81 P2RY14 (0.55) ROCK2PRKCAGRK2POLBSMN1; 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 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.