SCHEMBL15430958

SCHEMBL15430958

O=[N+]([O-])c1ccccc1-c1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 3/20 0.50
HTT P42858 1/20 0.49
RAB9A P51151 4/20 0.44
PKM P14618 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
POLB P06746 3/20 0.43
HCAR1 Q9BXC0 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
AHR P35869 1/20 0.42
CASP6 P55212 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 1/20 0.41
CFTR P13569 1/20 0.41
PTGS2 P35354 1/20 0.40
CYP1A2 P05177 2/20 0.39

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
SCHEMBL15430959 0.92 ALDH1A1 (0.49) ALDH1A1TDP1HTTRAB9APKM
SCHEMBL17177961 0.87 ALDH1A1 (0.49) ALDH1A1TDP1HTTRAB9APKM
SCHEMBL18347067 0.81 ALDH1A1 (0.54) ALDH1A1TDP1HTTRAB9APKM
SCHEMBL28283489 0.81 ALDH1A1 (0.65) ALDH1A1TDP1HTTRAB9APKM
SCHEMBL15796899 0.81 ALDH1A1 (0.45) ALDH1A1TDP1HTTPKMRXFP1
SCHEMBL15796882 0.80 ALDH1A1 (0.44) ALDH1A1TDP1HTTPKMRXFP1
SCHEMBL15618132 0.79 ALDH1A1 (0.51) ALDH1A1TDP1HTTRAB9APOLB
SCHEMBL16352513 0.79 ALDH1A1 (0.48) ALDH1A1TDP1HTTPKMESR1
SCHEMBL2327209 0.79 ALDH1A1 (0.50) ALDH1A1TDP1HTTRAB9APKM
SCHEMBL29959680 0.79 ALDH1A1 (0.50) ALDH1A1TDP1HTTRAB9APOLB

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.