SCHEMBL3276362

SCHEMBL3276362

O=[N+]([O-])c1cc(-c2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.66
ALDH1A1 P00352 1/20 0.66
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
MAPT P10636 4/20 0.59
HPRT1 P00492 1/20 0.51
POLB P06746 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ABCB1 P08183 4/20 0.48
ABCC1 P33527 3/20 0.48
KCNMA1 Q12791 1/20 0.48
PTGS2 P35354 2/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
APAF1 O14727 1/20 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
SCHEMBL30352851 1.00 TDP1 (0.66) TDP1ALDH1A1CRHBPCRHR2MAPT
SCHEMBL2816974 0.94 CRHBP (0.61) TDP1ALDH1A1CRHBPCRHR2MAPT
SCHEMBL14366620 0.92 TDP1 (0.56) TDP1ALDH1A1CRHBPCRHR2MAPT
SCHEMBL14001771 0.92 TDP1 (0.56) TDP1ALDH1A1CRHBPCRHR2MAPT
SCHEMBL28122064 0.92 ALDH1A1 (0.56) TDP1ALDH1A1CRHBPCRHR2MAPT
SCHEMBL15791110 0.90 TDP1 (0.53) TDP1ALDH1A1CRHBPCRHR2MAPT
SCHEMBL14002370 0.87 TDP1 (0.51) TDP1ALDH1A1CRHBPCRHR2MAPT
SCHEMBL24757925 0.86 ALDH1A1 (0.58) TDP1ALDH1A1CRHBPCRHR2MAPT
SCHEMBL17742439 0.85 TDP1 (0.66) TDP1ALDH1A1CRHBPCRHR2MAPT
SCHEMBL2958562 0.84 ALDH1A1 (0.92) TDP1ALDH1A1CRHBPCRHR2HPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111039849-B Preparation method of carbazole ring-containing compound 阜阳欣奕华材料科技有限公司 2021-07-06 CN disclosed
CN-111039849-A Preparation method of carbazole ring-containing compound 阜阳欣奕华材料科技有限公司 2020-04-21 CN disclosed
CN-104851977-B Organic energetic chip and method for preparing same by using silicon wafer as substrate 南京理工大学 2017-06-27 CN disclosed
CN-105061296-A Preparation method for 2-substituted carbazole compounds ZHANGJIAGANG IND TECHNOLOGY RES INST JIANGSU UNIVERSITY OF SCIENCE AND TECHNOLOGY 2015-11-18 CN disclosed
US-8343637-B2 Carbazole derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2013-01-01 US disclosed
EP-2102309-B1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-06-30 EP disclosed
CN-101133016-B Method for producing substituted biphenyls BASF AG 2010-06-02 CN disclosed
US-20090302752-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-12-10 US disclosed
CN-101600777-A The type material that is used for organic electroluminescence device MERCK PATENT GMBH (DE) 2009-12-09 CN disclosed
EP-2102309-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2009-09-23 EP disclosed
WO-2008086851-A1 CARBAZOLE DERIVATIVES FOR ORGANC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-07-24 WO disclosed
CN-101133016-A Method for producing substituted biphenyls BASF AG (DE) 2008-02-27 CN disclosed
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 US disclosed
CN-1163452-C Process for preparing nitrobiphenylene �����ɷ� 2004-08-25 CN disclosed
CN-1213359-A Process for preparing nitrobiphenylene BASF AG (DE) 1999-04-07 CN 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-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 TDP1 1395/4885ALDH1A1 2415/4885CRHBP 4743/4885
US-20090302752-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, CACNA2D1, CYCS TDP1 1018/4885ALDH1A1 208/4885CRHBP 4057/4885

“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.