SCHEMBL1163249

SCHEMBL1163249

O=C1N=Cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.52
S100A4 P26447 2/20 0.52
TDP1 Q9NUW8 2/20 0.51
CYP3A4 P08684 2/20 0.51
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CES1 P23141 1/20 0.46
CA9 Q16790 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
TDP2 O95551 1/20 0.44
CAPN9 O14815 1/20 0.44
CASP3 P42574 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
SCHEMBL2144231 0.86 PTPRC (0.52) PTPRCS100A4TDP1CYP3A4MAPT
SCHEMBL3484641 0.79 PDE7A (0.56) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL11812939 0.72 PTPRC (0.62) PTPRCS100A4TDP1CYP3A4MAPT
SCHEMBL4142069 0.72 PTPRC (0.62) PTPRCS100A4TDP1CYP3A4MAPT
SCHEMBL16970869 0.71 TDP2 (0.39) CES1TDP2CASP3
SCHEMBL7106993 0.70 PTPRC (0.55) PTPRCS100A4TDP1CYP3A4MAPT
SCHEMBL6820729 0.70 PTPRC (0.50) PTPRCS100A4TDP1CYP3A4MAPT
SCHEMBL7756586 0.70 PTPRC (0.46) PTPRCS100A4TDP1CYP3A4MAPT
SCHEMBL1162921 0.69 NPC1 (0.41) PTPRCS100A4TDP1CYP3A4MAPT
SCHEMBL18939906 0.69

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115572282-B Pyrazole amide compound containing aromatic heterocyclic structure, and preparation method and application thereof 华东理工大学 2024-07-09 CN disclosed
CN-118231660-A Positive electrode slurry, positive electrode plate and sodium ion battery 比亚迪股份有限公司 2024-06-21 CN disclosed
CN-115572282-A Pyrazole amide compound containing aromatic heterocyclic structure, and preparation method and application thereof 华东理工大学 2023-01-06 CN disclosed
CN-114437035-A Compound for inhibiting and degrading IRAK4, pharmaceutical composition and pharmaceutical application thereof 海思科医药集团股份有限公司 2022-05-06 CN disclosed
US-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors UNIVERSITY OF HAWAII (US) 2022-04-12 US disclosed
CN-111356456-A 2-arylsulfonamido-iV-arylacetamide derived Stat3 inhibitor 夏威夷大学 2020-06-30 CN disclosed
US-20190152988-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (JP) 2019-05-23 US disclosed
EP-2661437-B1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS CENTAURUS BIOPHARMA CO LTD (CN) 2018-11-07 EP disclosed
US-10112955-B2 Isoindoline, azaisoindoline, dihydroindenone and dihydroazaindenone inhibitors of Mnk1 and Mnk2 EFFECTOR THERAPEUTICS, INC. (US) 2018-10-30 US disclosed
EP-3368530-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 Effector Therapeutics Inc. (US) 2018-09-05 EP disclosed
US-9428508-B2 2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3]pyrimidine derivatives as FAK/Pyk2 inhibitors CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-08-30 US disclosed
CN-103804358-B One class Diarylhydantoin derivant, its preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2016-06-29 CN disclosed
CN-103804358-A Biaryl hydantoin derivate and preparation method, medicine composition and application thereof SHANGHAI PHARMACEUTICAL GROUP CO LTD 2014-05-21 CN disclosed
EP-2661437-A1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS Centaurus Biopharma Co., Ltd. (CN) 2013-11-13 EP disclosed
US-20130281438-A1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-10-24 US disclosed
US-8552022-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
WO-2012092880-A1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2012-07-12 WO disclosed
EP-2464228-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Sharp & Dohme Corp. (US) 2012-06-20 EP disclosed
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2012-06-07 US disclosed
WO-2011019538-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2011-02-17 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 (5 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-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors STAT3, JAK2, STAT5A PTPRC 61/4885S100A4 1863/4885TDP1 4436/4885
US-10112955-B2 Isoindoline, azaisoindoline, dihydroindenone and dihydroazaindenone inhibitors of Mnk1 and Mnk2 NEK9, NEK2, NEK3 PTPRC 3596/4885S100A4 2120/4885TDP1 2009/4885
US-20190152988-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 NEK9, NEK2, NEK3 PTPRC 3596/4885S100A4 2120/4885TDP1 2009/4885
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, GCGR PTPRC 2884/4885S100A4 1620/4885TDP1 4407/4885
US-20130281438-A1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS PTK2B, PTK2, DAPK2 PTPRC 565/4885S100A4 3415/4885TDP1 676/4885

“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.