SCHEMBL6404137

SCHEMBL6404137

COc1ccc(C(=O)NCc2cc(CN3CCN(c4ccccc4)CC3)no2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
POLB P06746 1/20 0.58
HSD17B10 Q99714 3/20 0.57
MAPT P10636 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 4/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
LMNA P02545 3/20 0.52
TDP1 Q9NUW8 1/20 0.51
DRD4 P21917 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.51
DRD3 P35462 1/20 0.49
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 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
SCHEMBL6407786 0.87 TSHR (0.67) KMT2AMEN1MAPTL3MBTL1TSHR
SCHEMBL6407679 0.86 POLB (0.54) KMT2AMEN1POLBMAPTL3MBTL1
SCHEMBL6404207 0.83 KMT2A (0.59) KMT2AMEN1POLBHSD17B10KDM4E
SCHEMBL6404219 0.80 ALDH1A1 (0.58) KMT2AMEN1POLBHSD17B10MAPT
SCHEMBL6402217 0.80 KMT2A (0.55) KMT2AMEN1HSD17B10KDM4ETP53
SCHEMBL6407567 0.79 KMT2A (0.55) KMT2AMEN1POLBHSD17B10MAPT
SCHEMBL6403442 0.79 KMT2A (0.59) KMT2AMEN1HSD17B10MAPTKDM4E
SCHEMBL6404324 0.79 MAPT (0.51) KMT2AMEN1POLBMAPTL3MBTL1
SCHEMBL6402542 0.78 KDM4E (0.48) KMT2AMEN1POLBHSD17B10MAPT
SCHEMBL6403585 0.77 SMN1; SMN2 (0.55) KMT2AMEN1POLBL3MBTL1TSHR

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 3154/4885POLB 3713/4885

“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.