SCHEMBL5628047

SCHEMBL5628047

COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PDGFRB P09619 1/20 0.50
FGFR1 P11362 1/20 0.50
PDGFRA P16234 1/20 0.50
FLT1 P17948 1/20 0.50
FGFR3 P22607 1/20 0.50
KDR P35968 1/20 0.50
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.49
GPR35 Q9HC97 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
MITF O75030 1/20 0.47
CCR6 P51684 1/20 0.47

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
SCHEMBL11832545 0.90 KMT2A (0.52) KMT2AMEN1POLBL3MBTL1PDGFRB
SCHEMBL29975488 0.90 KMT2A (0.52) KMT2AMEN1POLBL3MBTL1PDGFRB
SCHEMBL525661 0.87 PDGFRB (0.47) KMT2AMEN1POLBL3MBTL1PDGFRB
SCHEMBL396778 0.86 NPC1 (0.54) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL4581669 0.85 MAPT (0.49) KMT2AMEN1POLBL3MBTL1PDGFRB
SCHEMBL30098373 0.85 GPR35 (0.56) KMT2AMEN1POLBL3MBTL1PDGFRB
SCHEMBL591200 0.85 GPR35 (0.56) KMT2AMEN1POLBL3MBTL1PDGFRB
SCHEMBL6828146 0.85 GPR35 (0.52) KMT2AMEN1POLBL3MBTL1PDGFRB
SCHEMBL31615758 0.85 PDGFRB (0.55) KMT2AMEN1POLBL3MBTL1PDGFRB
SCHEMBL1945443 0.84 ALDH1A1 (0.46) KMT2AMEN1POLBL3MBTL1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-10-05 US disclosed
WO-2017153952-A1 5-SULFAMOYL-2-HYDROXYBENZAMIDE DERIVATIVES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-14 WO disclosed
US-7531298-B2 Silver halide color photosensitive material FUJIFILM CORPORATION (JP) 2009-05-12 US disclosed
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
EP-1947102-A1 Compositions comprising diazepinoindole derivatives as kinase inhibitors Pfizer, Inc. (US) 2008-07-23 EP disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 US disclosed
US-7186500-B2 Silver halide photographic lightsensitive material FUJI PHOTO FILM CO., LTD. (JP) 2007-03-06 US disclosed
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 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 (3 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-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS RNGTT, POLRMT, DNTT KMT2A 1835/4885MEN1 4389/4885POLB 8/4885
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases PTGER1, PTGDR, PTGIR KMT2A 2989/4885MEN1 1556/4885POLB 712/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA KMT2A 1951/4885MEN1 917/4885POLB 2603/4885

“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.