SCHEMBL6408092

SCHEMBL6408092

O=C(O)N(Cc1cc(-c2ccccc2Cl)no1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNA4 P43681 1/20 0.55
MAPT P10636 3/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 1/20 0.54
CYP1A2 P05177 5/20 0.52
CYP2C19 P33261 5/20 0.52
CYP2D6 P10635 3/20 0.52
CYP3A4 P08684 3/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
GPBAR1 Q8TDU6 5/20 0.40
ERAP2 Q6P179 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40

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
SCHEMBL6409336 0.82 NOTUM (0.55) MAPTNPC1SMN1; SMN2RAB9ACYP1A2
SCHEMBL6408613 0.81 NOTUM (0.55) MAPTNPC1SMN1; SMN2RAB9ACYP1A2
SCHEMBL6434804 0.80 CA12 (0.44) NPC1SMN1; SMN2RAB9AHTTMEN1
SCHEMBL6403916 0.78 NPC1 (0.50) NPC1SMN1; SMN2RAB9AHTTMEN1
SCHEMBL6409980 0.78 RAB9A (0.48) MAPTNPC1SMN1; SMN2RAB9AMEN1
SCHEMBL6404913 0.78 ALDH1A1 (0.43) MAPTNPC1SMN1; SMN2RAB9AHTT
SCHEMBL6402371 0.77 CA12 (0.45) NPC1SMN1; SMN2RAB9AMEN1HPGD
SCHEMBL1313860 0.75 CYP1A2 (0.61) CHRNB2CHRNA4MAPTNPC1SMN1; SMN2
SCHEMBL6402481 0.75 HPGD (0.59) MAPTNPC1SMN1; SMN2RAB9ACYP1A2
SCHEMBL6409269 0.73 S1PR3 (0.48) NPC1SMN1; SMN2RAB9AHTTMEN1

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 CHRNB2 2280/4885CHRNA4 1983/4885MAPT 4543/4885

“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.