SCHEMBL6402530

SCHEMBL6402530

COc1ccc(C(=O)NCc2cc(C(=O)c3ccccc3)no2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 4/20 0.51
HTT P42858 2/20 0.51
PKM P14618 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 2/20 0.50
POLB P06746 2/20 0.49
EPHX2 P34913 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 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
SCHEMBL6410111 0.87 SMN1; SMN2 (0.62) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6404207 0.87 KMT2A (0.59) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6408049 0.86 NPC1 (0.55) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6405896 0.84 SMN1; SMN2 (0.69) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6402577 0.84 SMN1; SMN2 (0.72) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6408618 0.82 SMN1; SMN2 (0.62) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6402322 0.82 RAB9A (0.59) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6402217 0.82 KMT2A (0.55) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6404219 0.82 ALDH1A1 (0.58) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6403049 0.81 MAPT (0.52) KMT2ANPC1RAB9AMEN1SMN1; 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 KMT2A 986/4885NPC1 1915/4885RAB9A 4044/4885

“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.