SCHEMBL6080952

SCHEMBL6080952

O=C(O)c1cc(O)c2cccc([N+](=O)[O-])c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
GPR35 Q9HC97 3/20 0.46
TDP1 Q9NUW8 4/20 0.43
CDK2 P24941 2/20 0.43
APEX1 P27695 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
PDE10A Q9Y233 1/20 0.42
IGFBP3 P17936 1/20 0.41
CTSB P07858 2/20 0.41
TSHR P16473 2/20 0.41
CASP6 P55212 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6590529 1.00 KMT2A (0.48) KMT2AMEN1MAPTLMNAGPR35
SCHEMBL6591021 0.84 MEN1 (0.54) KMT2AMEN1MAPTLMNAGPR35
SCHEMBL6591013 0.84 MEN1 (0.54) KMT2AMEN1MAPTLMNAGPR35
SCHEMBL6079981 0.84 APP (0.49) KMT2AMEN1MAPTLMNATDP1
SCHEMBL6594275 0.82 MEN1 (0.50) KMT2AMEN1MAPTGPR35TDP1
SCHEMBL6594282 0.82 MEN1 (0.50) KMT2AMEN1MAPTGPR35TDP1
SCHEMBL6080455 0.81 HCAR3 (0.47) KMT2AMEN1MAPTGPR35TDP1
SCHEMBL6594055 0.81 CRHBP (0.52) KMT2AMEN1TDP1CDK2IGFBP3
SCHEMBL6594049 0.81 CRHBP (0.52) KMT2AMEN1TDP1CDK2IGFBP3
SCHEMBL28323574 0.81 GPR35 (0.42) KMT2AMEN1MAPTGPR35TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 1384/4885MEN1 740/4885MAPT 1575/4885

“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.