SCHEMBL6407679

SCHEMBL6407679

COc1ccc(C(=O)NCc2cc(CN3CCCCC3)no2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
TSHR P16473 1/20 0.53
SLC5A7 Q9GZV3 2/20 0.52
NPC1 O15118 2/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
CHRM3 P20309 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.46

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 0.91 TSHR (0.67) TSHRSLC5A7NPC1KMT2AMEN1
SCHEMBL6404137 0.86 KMT2A (0.58) POLBTSHRNPC1KMT2AMEN1
SCHEMBL6404219 0.85 ALDH1A1 (0.58) POLBNPC1KMT2AMEN1TDP1
SCHEMBL6409982 0.82 KMT2A (0.53) POLBNPC1KMT2AMEN1TDP1
SCHEMBL6403585 0.82 SMN1; SMN2 (0.55) POLBTSHRNPC1KMT2AMEN1
SCHEMBL6404133 0.81 KMT2A (0.52) POLBSLC5A7NPC1KMT2AMEN1
SCHEMBL6403186 0.81 KMT2A (0.53) POLBNPC1KMT2AMEN1TDP1
SCHEMBL6407570 0.81 RAB9A (0.59) POLBTSHRNPC1KMT2AMEN1
SCHEMBL6407402 0.81 ALDH1A1 (0.54) POLBNPC1KMT2AMEN1TDP1
SCHEMBL6404207 0.81 KMT2A (0.59) POLBNPC1KMT2AMEN1TDP1

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 POLB 3713/4885TSHR 705/4885SLC5A7 3816/4885

“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.