SCHEMBL6402458

SCHEMBL6402458

COc1ccc(C(=O)NCc2cc(COc3cccc(C#N)c3)no2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
VNN1 O95497 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMPD1 P17405 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
MDM2 Q00987 1/20 0.42
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6410556 0.91 RAB9A (0.47) RAB9ANPC1VNN1KMT2AMEN1
SCHEMBL6405981 0.89 NPC1 (0.57) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL6407567 0.88 KMT2A (0.55) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL6403186 0.88 KMT2A (0.53) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL6403684 0.88 NPC1 (0.49) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL6405096 0.87 NPC1 (0.50) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL6408051 0.86 ALDH1A1 (0.50) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL6401570 0.84 KMT2A (0.50) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL6405537 0.84 NPC1 (0.54) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL6405118 0.84 PLK1 (0.50) RAB9ANPC1KMT2AMEN1LMNA

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 RAB9A 4044/4885NPC1 1915/4885VNN1 1884/4885

“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.