SCHEMBL1704508

SCHEMBL1704508

[CH2]N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.58
S100A4 P26447 2/20 0.58
ALOX5 P09917 1/20 0.55
CA12 O43570 4/20 0.54
CA9 Q16790 4/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
CES1 P23141 1/20 0.51
MAPT P10636 1/20 0.51
SCN2A Q99250 1/20 0.50
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
CASP1 P29466 1/20 0.50
CASP3 P42574 1/20 0.50
CASP4 P49662 1/20 0.50

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
SCHEMBL28061762 0.81 PTPRC (0.58) PTPRCS100A4ALOX5CA12CA9
SCHEMBL18702449 0.81 PTPRC (0.58) PTPRCS100A4ALOX5CA12CA9
SCHEMBL30781599 0.81 PTPRC (0.58) PTPRCS100A4ALOX5CA12CA9
SCHEMBL516995 0.81 CASP1 (0.63) PTPRCS100A4ALOX5CA12CA9
SCHEMBL19674180 0.81 PTPRC (0.63) PTPRCS100A4ALOX5CA12CA9
SCHEMBL29945629 0.81 CASP1 (0.63) PTPRCS100A4ALOX5CA12CA9
SCHEMBL3202418 0.81 PTPRC (0.58) PTPRCS100A4ALOX5CA12CA9
SCHEMBL16702921 0.81 PTPRC (0.58) PTPRCS100A4ALOX5CA12CA9
SCHEMBL6956819 0.81 ALOX5 (0.62) PTPRCS100A4ALOX5CA12CA9
SCHEMBL9550352 0.81 PTPRC (0.53) PTPRCS100A4ALOX5CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109557707-B Liquid crystal display device having a plurality of pixel electrodes DIC株式会社 2022-10-21 CN disclosed
CN-110300919-B Liquid crystal display device having a plurality of pixel electrodes DIC株式会社 2022-07-01 CN disclosed
CN-110300919-A Liquid crystal display device DIC株式会社 2019-10-01 CN disclosed
CN-109557707-A Liquid crystal display device DIC株式会社 2019-04-02 CN disclosed
EP-1892240-B1 Benzoisoindole derivative, pigment composition comprising the same and colored composition TOYO INK MFG CO (JP) 2012-04-18 EP disclosed
US-20080289541-A1 Benzoisoindole derivative, pigment composition comprising the same and colored composition TOYO INK MFG. CO., LTD. (JP) 2008-11-27 US disclosed
EP-1892240-A1 Benzoisoindole derivative, pigment composition comprising the same and colored composition TOYO INK MFG. CO., LTD. (JP) 2008-02-27 EP 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-20080289541-A1 Benzoisoindole derivative, pigment composition comprising the same and colored composition TYR, BRI3BP, MITF PTPRC 3493/4885S100A4 421/4885ALOX5 2774/4885

“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.