SCHEMBL2443486

SCHEMBL2443486

Cc1cc(Oc2ccc(F)cc2F)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 6/20 0.58
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
EPAS1 Q99814 1/20 0.48
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL29549341 1.00 HSPB1 (0.58) HSPB1TDP1L3MBTL1GAAMAPT
SCHEMBL28511295 0.88 HSPB1 (0.56) HSPB1TDP1L3MBTL1GAAMAPT
SCHEMBL16046439 0.88 HSPB1 (0.66) HSPB1TDP1L3MBTL1GAAMAPT
SCHEMBL16049146 0.88 HSPB1 (0.62) HSPB1TDP1L3MBTL1GAAMAPT
SCHEMBL28906973 0.87 LMNA (0.46) HSPB1TDP1L3MBTL1GAAMAPT
SCHEMBL28496978 0.86 HSPB1 (0.60) HSPB1TDP1L3MBTL1GAAMAPT
SCHEMBL28657257 0.85 HSPB1 (0.59) HSPB1TDP1L3MBTL1GAAMAPT
SCHEMBL16738733 0.84 HSPB1 (0.58) HSPB1TDP1L3MBTL1GAAMAPT
SCHEMBL28520772 0.84 HSPB1 (0.55) HSPB1TDP1L3MBTL1GAAMAPT
SCHEMBL16738728 0.84 HSPB1 (0.54) HSPB1TDP1L3MBTL1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300154-B Nitrogen-containing heterocyclic compound, preparation method and application thereof 上海弘翊生物科技有限公司 2023-01-24 CN disclosed
CN-110041253-B Pyridine N-oxide derivative and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-03-29 CN disclosed
CN-112300154-A Nitrogen-containing heterocyclic compound, preparation method and application thereof 上海弘翊生物科技有限公司 2021-02-02 CN disclosed
US-10441577-B2 Medicament for treatment of liver cancer HELMHOLTZ ZENTRUM FUER INFEKTIONSFORSCHUNG (DE) 2019-10-15 US disclosed
WO-2018137655-A1 PYRROLO-PYRIDINES N-OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2018-08-02 WO disclosed
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-03-19 US disclosed
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-03-19 US disclosed
EP-1997809-B1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC (US) 2014-05-14 EP disclosed
US-8518983-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-08-27 US disclosed
EP-1997810-B1 Indazoles, benzotriazoles and N-analogs thereof as p38 kinase inhibitors ARRAY BIOPHARMA INC (US) 2013-07-31 EP disclosed
EP-1606283-B1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-10-08 EP disclosed
WO-2004078116-A9 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-09-12 WO disclosed
EP-1883404-A1 P38 INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-02-06 EP disclosed
WO-2007126871-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-11-08 WO disclosed
EP-1606283-A4 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-05-23 EP disclosed
US-20060264431-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. 2006-11-23 US disclosed
WO-2006122230-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-11-16 WO disclosed
EP-1606283-A2 P38 INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2005-12-21 EP disclosed
US-20040192653-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. 2004-09-30 US disclosed
WO-2004078116-A2 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2004-09-16 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 (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-20060264431-A1 P38 inhibitors and methods of use thereof MAPK1, MAP3K1, MAP3K7 HSPB1 484/4885TDP1 740/4885L3MBTL1 2558/4885
US-10441577-B2 Medicament for treatment of liver cancer PYGL, PFKL, GLS2 HSPB1 435/4885TDP1 3340/4885L3MBTL1 3232/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 HSPB1 477/4885TDP1 803/4885L3MBTL1 2303/4885
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER PYGL, PFKL, GLS2 HSPB1 435/4885TDP1 3340/4885L3MBTL1 3232/4885

“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.