SCHEMBL6431300

SCHEMBL6431300

O=C1N=c2cccc(O)c2=NC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DBH P09172 3/20 0.37
MAOA P21397 2/20 0.35
ALDH1A1 P00352 7/20 0.35
ALOX15 P16050 5/20 0.35
HSD17B10 Q99714 5/20 0.35
TDP1 Q9NUW8 5/20 0.35
LMNA P02545 4/20 0.35
HPGD P15428 4/20 0.35
CA2 P00918 3/20 0.35
RECQL P46063 3/20 0.35
MMP2 P08253 2/20 0.35
CA1 P00915 2/20 0.35
EGFR P00533 2/20 0.35
FYN P06241 2/20 0.35
MMP9 P14780 2/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP8 P22894 1/20 0.35
CA6 P23280 1/20 0.35
CDK2 P24941 1/20 0.35
MMP12 P39900 1/20 0.35

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
SCHEMBL7724583 0.83 DBH (0.37) DBHMAOAALDH1A1ALOX15HSD17B10
SCHEMBL8018526 0.74 TSHR (0.38) ALDH1A1TDP1LMNARECQLTSHR
SCHEMBL7487292 0.74 CYP3A4 (0.33) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL31748052 0.74 RPS6KA3 (0.37) ALDH1A1TDP1HPGDCA2CA1
SCHEMBL317892 0.70 MAPT (0.40) MAOAALDH1A1ALOX15TDP1LMNA
SCHEMBL5492262 0.69 ACP3 (0.45) SMN1; SMN2
SCHEMBL8194088 0.68 SMN1; SMN2 (0.46) ALDH1A1HSD17B10TDP1HPGDRECQL
SCHEMBL31619158 0.68 DBH (0.35) DBHMAOAALDH1A1ALOX15HSD17B10
SCHEMBL21359837 0.68 MAPT (0.38) MAOAALDH1A1ALOX15TDP1LMNA
Hydrochloric Acid SCHEMBL2948518 0.68 MAPT (0.38) MAOAALDH1A1ALOX15TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6096743-A 1,2,3,4-tetrahydroquinoxalinedione derivative YAMANOUCHI PHARMACEUTICALS CO., LTD. (JP) 2000-08-01 US disclosed
WO-2000001376-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR USES FOR TREATMENT OF DEMYELINATING DISORDERS EISAI CO., LTD (JP) 2000-01-13 WO disclosed
EP-0876357-A1 NEW QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-11-11 EP disclosed
EP-0784054-A1 1,2,3,4-TETRAHYDROQUINOXALINEDIONE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-16 EP disclosed
WO-1997019066-A1 NEW QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-29 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 DBH 2431/4885MAOA 4460/4885ALDH1A1 3961/4885
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 DBH 858/4885MAOA 3634/4885ALDH1A1 2518/4885
US-20050182047-A1 Treatment of demyelinating disorders GRIK4, PMP22, GRIK5 DBH 2331/4885MAOA 4476/4885ALDH1A1 4022/4885

“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.