SCHEMBL4619154

SCHEMBL4619154

CCOc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.51
SCN2A Q99250 2/20 0.50
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CA12 O43570 1/20 0.47
RPS6KA2 Q15349 1/20 0.46
CASP6 P55212 3/20 0.44
CASP1 P29466 2/20 0.44
CASP3 P42574 2/20 0.44
CASP4 P49662 2/20 0.44
CASP7 P55210 2/20 0.44
CASP9 P55211 2/20 0.44
CASP8 Q14790 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL30758606 0.85 RECQL (0.62) RECQLL3MBTL1SCN2ANR1H2NR1H3
SCHEMBL16592564 0.85 RECQL (0.62) RECQLL3MBTL1SCN2ANR1H2NR1H3
SCHEMBL29895241 0.79 CYP3A4 (0.56) SCN2ANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL10915755 0.79 CYP3A4 (0.56) SCN2ANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL10885870 0.78 RECQL (0.59) RECQLL3MBTL1SCN2ANR1H2NR1H3
SCHEMBL6679920 0.78 ALDH1A1 (0.52) RECQLALDH1A1KMT2AMAPTLMNA
SCHEMBL11304554 0.77 L3MBTL1 (0.74) RECQLL3MBTL1SCN2ANR1H2NR1H3
SCHEMBL11872977 0.77 NPC1 (0.59) NR1H2NR1H3ALDH1A1KMT2AMAPT
SCHEMBL20931235 0.76 RPS6KA2 (0.45) SCN2AALDH1A1KMT2ALMNARPS6KA2
SCHEMBL5924422 0.75 SCN2A (0.58) RECQLL3MBTL1SCN2ANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124452-B Preparation method of 2- (4-amino-2-ethoxyphenyl) isoindole-1, 3-dione 安庆朗坤药业有限公司 2024-03-01 CN claimed
CN-115124452-A Preparation method of 2- (4-amino-2-ethoxyphenyl) isoindole-1, 3-dione 安庆朗坤药业有限公司 2022-09-30 CN claimed
CN-115124452-B Preparation method of 2- (4-amino-2-ethoxyphenyl) isoindole-1, 3-dione 安庆朗坤药业有限公司 2024-03-01 CN disclosed
CN-115124452-B Preparation method of 2- (4-amino-2-ethoxyphenyl) isoindole-1, 3-dione 安庆朗坤药业有限公司 2024-03-01 CN disclosed
CN-115124452-A Preparation method of 2- (4-amino-2-ethoxyphenyl) isoindole-1, 3-dione 安庆朗坤药业有限公司 2022-09-30 CN disclosed
EP-1883621-A2 METHODS OF PREPARING 3-CYANO-QUINOLINES AND INTERMEDIATES MADE THEREBY Wyeth (US) 2008-02-06 EP disclosed
US-20060270669-A1 Method of preparing 3-cyano-quinolines and intermediates made thereby WYETH 2006-11-30 US disclosed
WO-2006127205-A2 METHODS OF PREPARING 3-CYANO-QUINOLINES AND INTERMEDIATES MADE THEREBY WYETH (US) 2006-11-30 WO disclosed
US-4617316-A Insecticidal heteroaryl substituted phenyl benzoylureas FMC CORPORATION (US) 1986-10-14 US 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-20060270669-A1 Method of preparing 3-cyano-quinolines and intermediates made thereby CNP, PPP4C, PTMS RECQL 199/4885L3MBTL1 3799/4885SCN2A 546/4885

“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.