SCHEMBL6407614

SCHEMBL6407614

O=C(NCc1cc(CCc2ccccc2)no1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
POLB P06746 1/20 0.50
PPARG P37231 1/20 0.48
ROCK2 O75116 1/20 0.47
PRKCA P17252 1/20 0.47
GRK2 P25098 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HDAC2 Q92769 2/20 0.45

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
SCHEMBL6410547 0.92 NPC1 (0.55) KMT2AMEN1TDP1SMN1; SMN2RAB9A
SCHEMBL6403442 0.89 KMT2A (0.59) KMT2AMEN1TDP1SMN1; SMN2RAB9A
SCHEMBL6404220 0.88 KMT2A (0.50) KMT2AMEN1TDP1SMN1; SMN2RAB9A
SCHEMBL6407737 0.84 HDAC6 (0.49) KMT2AMEN1TDP1SMN1; SMN2NPC1
SCHEMBL6403880 0.80 TDP1 (0.51) KMT2AMEN1TDP1SMN1; SMN2RAB9A
SCHEMBL6407914 0.80 RAB9A (0.48) KMT2AMEN1TDP1SMN1; SMN2RAB9A
SCHEMBL6406019 0.79 KMT2A (0.55) KMT2AMEN1TDP1SMN1; SMN2RAB9A
SCHEMBL6401509 0.78 KMT2A (0.52) KMT2AMEN1TDP1SMN1; SMN2RAB9A
SCHEMBL6403162 0.78 POLB (0.54) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL6404207 0.78 KMT2A (0.59) KMT2AMEN1TDP1SMN1; SMN2RAB9A

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 KMT2A 986/4885MEN1 3154/4885TDP1 1721/4885

“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.