SCHEMBL6403049

SCHEMBL6403049

COc1ccc(C(=O)NCc2cc(C(=O)Nc3ccccc3Cl)no2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
F10 P00742 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.48
PDE4D Q08499 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 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
SCHEMBL6402463 0.86 KMT2A (0.48) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6408049 0.86 NPC1 (0.55) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6408618 0.85 SMN1; SMN2 (0.62) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6402547 0.83 SMN1; SMN2 (0.57) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6410111 0.83 SMN1; SMN2 (0.62) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6405915 0.82 NPC1 (0.64) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6405972 0.82 ALDH1A1 (0.65) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6405237 0.82 RAB9A (0.65) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6402530 0.81 KMT2A (0.54) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL6407778 0.81 HSD17B10 (0.62) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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 MAPT 4543/4885SMN1; SMN2 4458/4885ALDH1A1 1486/4885

“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.