SCHEMBL2869867

SCHEMBL2869867

Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.56
MEN1 O00255 6/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 2/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
OPRK1 P41145 1/20 0.46
TAAR1 Q96RJ0 2/20 0.46
THRB P10828 1/20 0.45
NPBWR1 P48145 2/20 0.45
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL2867194 0.88 MAPT (0.47) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL6387970 0.86 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL2868251 0.85 MAPT (0.50) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL27658392 0.83 KMT2A (0.54) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL2861013 0.82 MAPT (0.52) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL28340817 0.78 KMT2A (0.76) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL28343318 0.78 KMT2A (0.76) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL12111638 0.77 KMT2A (0.67) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL12111585 0.77 KMT2A (0.67) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL12111677 0.77 KMT2A (0.67) KMT2AMEN1MAPTALDH1A1L3MBTL1

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-1713101-B1 ELECTRODE FOR ENERGY STORAGE DEVICE AND PROCESS FOR PRODUCING THE SAME UNIV YAMAGUCHI (JP) 2012-10-31 EP disclosed
US-7803898-B2 Aminoquinoxaline compound, polyaminoquinoxaline compound, and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-28 US disclosed
US-20090030176-A1 Aminoquinoxaline Compound, Polyaminoquinoxaline Compound, and Use Thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-29 US disclosed
EP-1713101-A1 ELECTRODE FOR ENERGY STORAGE DEVICE AND PROCESS FOR PRODUCING THE SAME Yamaguchi University (JP) 2006-10-18 EP disclosed
EP-1705178-A1 AMINOQUINOXALINE COMPOUND, POLYAMINOQUINOXALINE COMPOUND, AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2006-09-27 EP 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-20090030176-A1 Aminoquinoxaline Compound, Polyaminoquinoxaline Compound, and Use Thereof PAM, CYC1, QPCT KMT2A 513/4885MEN1 386/4885MAPT 4450/4885

“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.