SCHEMBL6402541

SCHEMBL6402541

COc1ccc(C(=O)NCc2cc(C(=O)Nc3ccc(C#N)cc3)no2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MAPT P10636 5/20 0.49
TP53 P04637 2/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
ALOX15 P16050 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL6408618 0.92 SMN1; SMN2 (0.62) RXFP1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6407778 0.88 HSD17B10 (0.62) RXFP1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6402547 0.88 SMN1; SMN2 (0.57) RXFP1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6404235 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL6408049 0.86 NPC1 (0.55) RXFP1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6405888 0.84 SMN1; SMN2 (0.53) RXFP1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6410556 0.83 RAB9A (0.47) RXFP1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6402463 0.82 KMT2A (0.48) RXFP1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6405915 0.81 NPC1 (0.64) RXFP1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7281985 0.79 NPC1 (0.76) RXFP1SMN1; SMN2NPC1RAB9AMAPT

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 RXFP1 1077/4885SMN1; SMN2 4458/4885NPC1 1915/4885

“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.