SCHEMBL6409331

SCHEMBL6409331

O=C(Cc1ccccc1)NCc1cc(-c2ccccc2)no1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HTT P42858 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
JAK2 O60674 1/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 4/20 0.55
NOTUM Q6P988 2/20 0.54
POLB P06746 2/20 0.53
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 2/20 0.50
ROCK2 O75116 1/20 0.50
PRKCA P17252 1/20 0.50
GRK2 P25098 1/20 0.50
SRC P12931 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL6401623 0.84 NOTUM (0.61) ALDH1A1SMN1; SMN2HTTL3MBTL1JAK2
SCHEMBL23451628 0.82 POLB (0.75) ALDH1A1SMN1; SMN2HTTL3MBTL1JAK2
SCHEMBL31686338 0.82 NOTUM (0.58) ALDH1A1SMN1; SMN2HTTL3MBTL1JAK2
SCHEMBL6409950 0.80 RAB9A (0.50) ALDH1A1SMN1; SMN2HTTL3MBTL1JAK2
SCHEMBL6410130 0.79 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2L3MBTL1LMNAPOLB
SCHEMBL31124145 0.78 NOTUM (0.54) ALDH1A1SMN1; SMN2HTTL3MBTL1JAK2
SCHEMBL13901736 0.78 MAPT (0.59) SMN1; SMN2MAPT
SCHEMBL6408026 0.77 NPC1 (0.50) ALDH1A1SMN1; SMN2HTTL3MBTL1HPGD
SCHEMBL11487647 0.76 POLB (0.53) ALDH1A1SMN1; SMN2HTTL3MBTL1JAK2
SCHEMBL6404121 0.76 POLB (0.53) ALDH1A1SMN1; SMN2HTTL3MBTL1JAK2

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 ALDH1A1 1486/4885SMN1; SMN2 4458/4885HTT 483/4885

“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.