SCHEMBL31907

SCHEMBL31907

O=[N+]([O-])c1ccccc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SIRT2 Q8IXJ6 1/20 0.38
POLB P06746 1/20 0.38
GUSB P08236 1/20 0.38
F2 P00734 1/20 0.38
C1R P00736 1/20 0.38
MAPT P10636 1/20 0.38
MPI P34949 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL16862766 0.92 ALDH1A1 (0.48) ALDH1A1TDP1KDM4EATML3MBTL1
SCHEMBL14756544 0.92 ALDH1A1 (0.50) ALDH1A1TDP1KDM4EATML3MBTL1
SCHEMBL16932047 0.91 ALDH1A1 (0.47) ALDH1A1TDP1KDM4EATML3MBTL1
SCHEMBL22173008 0.88 ALDH1A1 (0.57) ALDH1A1TDP1KDM4EATML3MBTL1
SCHEMBL21578557 0.87 ALDH1A1 (0.51) ALDH1A1TDP1KDM4EATML3MBTL1
SCHEMBL16671030 0.87 L3MBTL1 (0.42) ALDH1A1KDM4EATML3MBTL1LMNA
SCHEMBL15741182 0.87 ALDH1A1 (0.44) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL17177954 0.86 ALDH1A1 (0.47) ALDH1A1TDP1KDM4EATML3MBTL1
SCHEMBL16932050 0.86 ALDH1A1 (0.47) ALDH1A1TDP1KDM4EATML3MBTL1
SCHEMBL19382943 0.86 ALDH1A1 (0.43) ALDH1A1TDP1L3MBTL1LMNAHTT

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-20230240141-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-07-27 US disclosed
CN-109897029-B Terpyridyl derivative, and preparation method, application and device thereof 武汉尚赛光电科技有限公司 2021-03-30 CN disclosed
US-20190355911-A1 ORGANIC MIXTURE, ORGANIC COMPOSITION, ORGANIC ELECTRONIC COMPONENT AND PREPARATION METHOD THEREFOR GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-11-21 US disclosed
WO-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 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-20230240141-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF ESR1, GPX1, LEF1 ALDH1A1 343/4885TDP1 844/4885KDM4E 1003/4885

“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.