SCHEMBL7034341

SCHEMBL7034341

O=c1[nH]c(=O)c2cccc([N+](=O)[O-])c2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.71
MAPT P10636 4/20 0.57
MAPK1 P28482 2/20 0.57
NPC1 O15118 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.54
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 3/20 0.50
FBP1 P09467 4/20 0.48
DNA2 P51530 1/20 0.46
CASP6 P55212 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
GUSB P08236 1/20 0.46
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 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
SCHEMBL7242400 0.83 PARP1 (1.00) PARP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL3477342 0.79 PARP1 (0.60) PARP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL259821 0.79 SIRT2 (0.57) PARP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL1951372 0.75 MAPT (0.56) PARP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL30455197 0.74 PARP1 (0.68) PARP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL1135541 0.74 PARP1 (0.68) PARP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL6647713 0.73 PARP1 (0.62) PARP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL6802027 0.73 PARP1 (0.58) PARP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL7491879 0.73 PARP1 (0.62) PARP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL5357075 0.73 SIRT2 (0.44) PARP1MAPTMAPK1NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220165963-A1 ORGANIC COMPOUND, USE THEREOF AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-05-26 US disclosed
EP-0878468-B1 Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL CO (JP) 2003-03-19 EP disclosed
EP-0775697-B1 Process for producing 1-substituted tetrahydroquinazolindionen SUMITOMO CHEMICAL CO (JP) 2003-02-12 EP disclosed
EP-0760819-B1 TRICYCLIC DICARBONYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2000-07-19 EP disclosed
US-5994542-A Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-11-30 US disclosed
EP-0878468-A1 Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-11-18 EP disclosed
US-5756738-A Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-26 US disclosed
US-5688803-A BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-11-18 US disclosed
EP-0775697-A1 Process for producing 1-substituted tetrahydroquinazolindionen SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-05-28 EP disclosed
EP-0760819-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed
WO-1995032205-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1995-11-30 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 (1 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-20220165963-A1 ORGANIC COMPOUND, USE THEREOF AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME ARL1, ORC3, EML4 PARP1 831/4885MAPT 1397/4885MAPK1 781/4885

“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.