SCHEMBL6079956

SCHEMBL6079956

O=C(O)c1nc2c(O)cccc2c(O)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
KDM4A O75164 2/20 0.44
EGLN1 Q9GZT9 2/20 0.44
RAB9A P51151 1/20 0.44
HIF1AN Q9NWT6 1/20 0.44
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 2/20 0.41
PARP1 P09874 4/20 0.40
TNKS O95271 3/20 0.40
TNKS2 Q9H2K2 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
KDM6B O15054 1/20 0.37
KDM6A O15550 1/20 0.37
TET3 O43151 1/20 0.37

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
SCHEMBL6079987 0.84 MMP2 (0.41) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL6079815 0.82 CA12 (0.45) KDM4EKMT2ACYP1A2PARP1TNKS
SCHEMBL6080873 0.81 ADORA2A (0.36) KDM4EKDM4ACA1CA2CDK9
SCHEMBL6080384 0.81 KDM4E (0.46) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL6594338 0.80 ALDH1A1 (0.46) KDM4EL3MBTL1KMT2ACYP1A2CYP2D6
SCHEMBL6594345 0.80 ALDH1A1 (0.46) KDM4EL3MBTL1KMT2ACYP1A2CYP2D6
SCHEMBL6079912 0.79 ESR1 (0.50) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL6080441 0.79 KDM4E (0.38) KDM4ERAB9AKMT2AALDH1A1CDK9
SCHEMBL6079972 0.76 MRGPRX4 (0.46) KDM4EL3MBTL1RAB9AKMT2ACYP1A2
SCHEMBL28255583 0.72 KDM4E (0.51) KDM4EL3MBTL1KDM4AEGLN1RAB9A

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 1006/4885L3MBTL1 4069/4885KDM4A 849/4885

“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.