SCHEMBL15430998

SCHEMBL15430998

O=[N+]([O-])c1ccccc1-c1ccc2c(c1)nnn2-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
FGFR1 P11362 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
GRM5 P41594 1/20 0.39
IDO1 P14902 3/20 0.38
TDO2 P48775 3/20 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
SCHEMBL15430940 0.90 ALDH1A1 (0.48) KDM4ENPC1L3MBTL1ALDH1A1TDP1
SCHEMBL30986900 0.79 ALDH1A1 (0.58) KDM4ENPC1L3MBTL1ALDH1A1KMT2A
SCHEMBL19911530 0.79 ALDH1A1 (0.58) KDM4ENPC1L3MBTL1ALDH1A1KMT2A
SCHEMBL15797007 0.78 NR3C1 (0.52) NPC1ALDH1A1TDP1MAPTHPGD
SCHEMBL15430812 0.78 ALDH1A1 (0.64) ALDH1A1TDP1MAPTHPGDFGFR1
SCHEMBL15430959 0.76 ALDH1A1 (0.49) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL15797001 0.75 KHK (0.51) NPC1ALDH1A1TDP1MAPTHPGD
SCHEMBL15430813 0.72 FGFR1 (0.64) ALDH1A1TDP1HPGDHTTFGFR1
SCHEMBL16862764 0.72 ALDH1A1 (0.48) KDM4EL3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL16799799 0.72 MEN1 (0.64) NPC1L3MBTL1ALDH1A1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10236451-B2 Compound and organic electroluminescent device comprising the same DOOSAN CORPORATION (KR) 2019-03-19 US disclosed
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 (2 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-10236451-B2 Compound and organic electroluminescent device comprising the same VDAC1, PIEZO1, SLCO4C1 KDM4E 692/4885NPC1 1690/4885L3MBTL1 324/4885
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME VDAC1, ALDH2, VDAC2 KDM4E 604/4885NPC1 2437/4885L3MBTL1 558/4885

“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.