SCHEMBL15430959

SCHEMBL15430959

O=[N+]([O-])c1ccccc1-c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.48
SIRT2 Q8IXJ6 3/20 0.45
SIRT1 Q96EB6 2/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.41
PTGER4 P35408 1/20 0.40
PTGS2 P35354 2/20 0.39
HCAR1 Q9BXC0 1/20 0.39
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL15430958 0.92 ALDH1A1 (0.50) ALDH1A1TDP1HTTSIRT2SIRT1
SCHEMBL17177961 0.86 ALDH1A1 (0.49) ALDH1A1TDP1HTTSIRT2SIRT1
SCHEMBL15796882 0.81 ALDH1A1 (0.44) ALDH1A1TDP1HTTSIRT2POLB
SCHEMBL18347067 0.81 ALDH1A1 (0.54) ALDH1A1TDP1HTTESR1ESR2
SCHEMBL15796899 0.80 ALDH1A1 (0.45) ALDH1A1TDP1HTTSIRT2POLB
SCHEMBL21367713 0.79 ALDH1A1 (0.48) ALDH1A1SIRT2SIRT1ESR1ESR2
SCHEMBL16352513 0.78 ALDH1A1 (0.48) ALDH1A1TDP1HTTSIRT2ESR1
SCHEMBL2327209 0.78 ALDH1A1 (0.50) ALDH1A1TDP1HTTSIRT2SIRT1
SCHEMBL15562632 0.78 ALDH1A1 (0.51) ALDH1A1TDP1HTTPOLBPTGS2
SCHEMBL15618132 0.78 ALDH1A1 (0.51) ALDH1A1TDP1HTTSIRT2POLB

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-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME DOOSAN CORPORATION (KR) 2015-06-18 US disclosed
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME DOOSAN CORPORATION (KR) 2015-06-18 US disclosed
WO-2014010810-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 (KR) 2014-01-16 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-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME VDAC1, ALDH2, VDAC2 ALDH1A1 472/4885TDP1 3260/4885HTT 955/4885

“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.