SCHEMBL6428833

SCHEMBL6428833

CN(C)Oc1ccccc1-c1nc(-c2ccccc2)no1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.62
RAB9A P51151 9/20 0.62
NPC1 O15118 8/20 0.62
GAA P10253 1/20 0.62
TP53 P04637 8/20 0.60
HSD17B10 Q99714 6/20 0.60
RXFP1 Q9HBX9 1/20 0.60
GPR55 Q9Y2T6 1/20 0.59
MAPT P10636 8/20 0.59
ALDH1A1 P00352 7/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
L3MBTL1 Q9Y468 5/20 0.59
KDM4E B2RXH2 4/20 0.59
TDP1 Q9NUW8 2/20 0.59
HTT P42858 2/20 0.59
LMNA P02545 1/20 0.58
NFKB1 P19838 4/20 0.58
NFKB2 Q00653 4/20 0.58
RELA Q04206 4/20 0.58

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
SCHEMBL7961699 0.86 SMN1; SMN2 (0.81) SMN1; SMN2RAB9ANPC1GAATP53
Irampanel SCHEMBL678128 0.80 HTR7 (0.63) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL7956985 0.80 KMT2A (0.55) SMN1; SMN2RAB9ANPC1GAATP53
Irampanel SCHEMBL6879876 0.79 HTR7 (0.62) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL7957183 0.78 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL30729285 0.77 SMN1; SMN2 (0.77) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL3428143 0.77 SMN1; SMN2 (0.77) SMN1; SMN2RAB9ANPC1GAATP53
Dimethylamine SCHEMBL7957188 0.76 GPR55 (0.55) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL7956586 0.76 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL7958865 0.76 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1GAATP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040204347-A1 Treatment of demyelinating disorders EISAI CO., LTD. (JP) 2004-10-14 US claimed
US-20050182047-A1 Treatment of demyelinating disorders EISAI CO., LTD. (JP) 2005-08-18 US disclosed
US-20050130979-A1 2,3-dihydroxy-6-nitro-7-sulfamoyl-benzo(F)quinoxaline (NBQX) or the quinoxalinedione is 9-methyl-amino-6-nitro-hexahydro-benzo(F) quinoxalinedione (PNQX) for treating demyelinating disorders EISAI CO., LTD. (JP) 2005-06-16 US disclosed
US-20040204347-A1 Treatment of demyelinating disorders EISAI CO., LTD. (JP) 2004-10-14 US disclosed
EP-1100504-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR USES FOR TREATMENT OF DEMYELINATING DISORDERS Eisai Co., Ltd. (JP) 2001-05-23 EP disclosed
WO-2000001376-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR USES FOR TREATMENT OF DEMYELINATING DISORDERS EISAI CO., LTD (JP) 2000-01-13 WO 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 (3 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-20040204347-A1 Treatment of demyelinating disorders GRIK4, GRIK5, PMP22 SMN1; SMN2 241/4885RAB9A 4547/4885NPC1 1842/4885
US-20050130979-A1 2,3-dihydroxy-6-nitro-7-sulfamoyl-benzo(F)quinoxaline (NBQX) or the quinoxalinedione is 9-methyl-amino-6-nitro-hexahydro-benzo(F) quinoxalinedione (PNQX) for treating demyelinating disorders GRIK4, GRIK5, GRIK3 SMN1; SMN2 774/4885RAB9A 4435/4885NPC1 3963/4885
US-20050182047-A1 Treatment of demyelinating disorders GRIK4, PMP22, GRIK5 SMN1; SMN2 212/4885RAB9A 4624/4885NPC1 1964/4885

“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.