SCHEMBL6402999

SCHEMBL6402999

COc1ccc(C(=O)NCc2cc(-c3ccccc3)no2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
THRB P10828 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.57
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 1/20 0.54
PPARG P37231 1/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
NPC1 O15118 2/20 0.54
POLB P06746 2/20 0.54
NR1H4 Q96RI1 1/20 0.54
CYP1A2 P05177 1/20 0.54
KMT2A Q03164 1/20 0.53
SMPD1 P17405 1/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTT P42858 1/20 0.51

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
SCHEMBL6407962 0.89 SMN1; SMN2 (0.57) MAPTSMN1; SMN2RAB9AKDM4EPPARG
SCHEMBL6405896 0.86 SMN1; SMN2 (0.69) MAPTSMN1; SMN2RAB9AKDM4EL3MBTL1
SCHEMBL6405173 0.84 HPGD (0.57) MAPTSMN1; SMN2RAB9AKDM4EL3MBTL1
SCHEMBL6406648 0.83 HDAC1 (0.54) MAPTTHRBSMN1; SMN2RAB9AKDM4E
SCHEMBL6403149 0.82 NPC1 (0.57) MAPTSMN1; SMN2RAB9AL3MBTL1NPC1
SCHEMBL6402577 0.82 SMN1; SMN2 (0.72) MAPTSMN1; SMN2RAB9AKDM4EL3MBTL1
SCHEMBL6407394 0.81 LMNA (0.56) MAPTSMN1; SMN2RAB9ANPC1POLB
SCHEMBL6402396 0.80 SMN1; SMN2 (0.77) MAPTSMN1; SMN2RAB9AL3MBTL1NPC1
SCHEMBL6403008 0.80 ALDH1A1 (0.54) MAPTSMN1; SMN2RAB9ANCOR2L3MBTL1
SCHEMBL6403827 0.80 POLB (0.65) MAPTSMN1; SMN2RAB9AL3MBTL1NPC1

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 4543/4885THRB 2021/4885SMN1; SMN2 4458/4885

“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.