SCHEMBL6080441

SCHEMBL6080441

O=C(O)c1nc2c(O)c(Br)ccc2c(O)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
RAB9A P51151 1/20 0.36
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
EPRS1 P07814 1/20 0.33
DHODH Q02127 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TTR P02766 1/20 0.32
CDK9 P50750 2/20 0.32

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
SCHEMBL6080818 0.81 NPSR1 (0.39) KDM4EMAPTTDP1ALDH1A1MEN1
SCHEMBL6079956 0.79 KDM4E (0.44) KDM4EALDH1A1KMT2ARAB9AGRIN2D
SCHEMBL6079987 0.76 MMP2 (0.41) KDM4EMAPTTDP1ALDH1A1MEN1
SCHEMBL6591920 0.76 THRA (0.41) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6080873 0.73 ADORA2A (0.36) KDM4ECDK9DYRK1ADYRK1BDYRK2
SCHEMBL6595216 0.72 KDM4E (0.49) KDM4EMAPTTDP1ALDH1A1KMT2A
SCHEMBL6594338 0.72 ALDH1A1 (0.46) KDM4EMAPTTDP1ALDH1A1MEN1
SCHEMBL6594345 0.72 ALDH1A1 (0.46) KDM4EMAPTTDP1ALDH1A1MEN1
SCHEMBL11380261 0.71 ALDH1A1 (0.38) MAPTTDP1ALDH1A1HPGDRECQL
SCHEMBL6080823 0.70 NQO2 (0.40) KDM4EMAPTTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 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 (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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL KDM4E 1006/4885MAPT 1575/4885TDP1 2264/4885

“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.