SCHEMBL1174503

SCHEMBL1174503

O=C(O)C=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
PTGES O14684 1/20 0.53
PTGS2 P35354 1/20 0.51
RHOA P61586 2/20 0.51
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GPR35 Q9HC97 2/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAOB P27338 1/20 0.48
CES2 O00748 1/20 0.47
HIF1A Q16665 1/20 0.46
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3602553 1.00 MAPT (0.64) MAPTPTGESPTGS2RHOAALDH1A1
SCHEMBL989659 1.00 MAPT (0.64) MAPTPTGESPTGS2RHOAALDH1A1
SCHEMBL20493434 0.90 RHOA (0.58) MAPTPTGESPTGS2RHOAALDH1A1
SCHEMBL4933000 0.86 PTGS2 (0.54) MAPTPTGESPTGS2ALDH1A1KMT2A
SCHEMBL8153356 0.86 TDP1 (0.50) MAPTPTGS2ALDH1A1KMT2AMAPK1
SCHEMBL4933003 0.86 PTGS2 (0.54) MAPTPTGESPTGS2ALDH1A1KMT2A
SCHEMBL8153352 0.86 TDP1 (0.50) MAPTPTGS2ALDH1A1KMT2AMAPK1
SCHEMBL13767769 0.84 ALDH1A1 (0.60) MAPTALDH1A1KMT2AMAPK1TDP1
SCHEMBL9658637 0.84 MAPT (0.64) MAPTPTGS2KMT2ASMN1; SMN2MAOB
SCHEMBL9658649 0.84 MAPT (0.64) MAPTPTGS2KMT2ASMN1; SMN2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192075-A Cinnamic acid derivative and preparation method thereof 广东工业大学 2024-12-27 CN claimed
CN-119215027-A New application of cinnamic acid derivative 广东工业大学 2024-12-31 CN disclosed
CN-119192075-A Cinnamic acid derivative and preparation method thereof 广东工业大学 2024-12-27 CN disclosed
CN-117343072-A 1-substituted cinnamoyl-2-oxo lycorine compound and preparation method and application thereof 山东达因海洋生物制药股份有限公司 2024-01-05 CN disclosed
US-9115151-B2 Substituted 2,10-dihydro-9-oxa-1,2,4A-triazaphenanthren-3-ones and uses thereof ABBVIE INC. (US) 2015-08-25 US disclosed
US-20140206663-A1 TRIAZINONE COMPOUNDS WUXI APPTECH (SHANGHAI) CO., LTD. (CN) 2014-07-24 US disclosed
WO-2014089904-A1 TRIAZINONE COMPOUNDS ABBVIE INC. (US) 2014-06-19 WO disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
EP-1587787-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-10-26 EP disclosed
US-20040171626-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-02 US disclosed
WO-2004065367-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-08-05 WO disclosed
US-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 US disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 US 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 (4 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-20140206663-A1 TRIAZINONE COMPOUNDS THPO, IL5, CYP11B2 MAPT 3261/4885PTGES 709/4885PTGS2 1287/4885
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 MAPT 4758/4885PTGES 3412/4885PTGS2 2205/4885
US-20040171626-A1 Viral polymerase inhibitors POLM, MED1, POLR2H MAPT 59/4885PTGES 4550/4885PTGS2 4087/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A MAPT 45/4885PTGES 3892/4885PTGS2 4258/4885

“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.