SCHEMBL6865567

SCHEMBL6865567

O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
KMT2A Q03164 2/20 0.57
PKM P14618 1/20 0.57
ALOX5 P09917 1/20 0.55
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
USP2 O75604 1/20 0.53
ALOX15 P16050 1/20 0.53
GAA P10253 3/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
THRB P10828 1/20 0.52
HGFAC Q04756 1/20 0.51
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.50
PTPN7 P35236 1/20 0.50
PTPN12 Q05209 1/20 0.50
PTPN22 Q9Y2R2 1/20 0.50
MEN1 O00255 1/20 0.49

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
SCHEMBL13292702 0.90 MAPT (0.67) MAPTKMT2APKMALOX5ALDH1A1
SCHEMBL24218456 0.84 KDM4E (0.68) MAPTKMT2APKMALOX5KDM4E
SCHEMBL11369720 0.83 KDM4E (0.63) MAPTKMT2APKMALDH1A1KDM4E
SCHEMBL19360824 0.83 MAPT (0.59) MAPTKMT2APKMALOX5ALDH1A1
SCHEMBL19360854 0.83 ALOX5 (0.67) MAPTKMT2APKMALOX5KDM4E
SCHEMBL19360021 0.83 MAPT (0.59) MAPTKMT2APKMALOX5ALDH1A1
SCHEMBL27690202 0.83 MAPT (0.59) MAPTKMT2APKMALOX5ALDH1A1
SCHEMBL11482833 0.82 KMT2A (0.72) MAPTKMT2APKMALOX5ALDH1A1
SCHEMBL527544 0.82 KMT2A (0.71) MAPTKMT2APKMALOX5ALDH1A1
SCHEMBL10398771 0.80 MAPT (0.43) MAPTKMT2APKMALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809206-B2 CONTACTING A PHENYL ESTER COMPOUND WITH A CYCLIC COMPOUND IN THE PRESENCE OF A SOURCE OF CYANIDE OR FLUORIDE TO PREPARE ACYLATED CYCLIC 1,3-DICARBONYL COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY 2004-10-26 US disclosed
US-20030232984-A1 Method for acylating cyclic compounds E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-18 US disclosed
US-20020049317-A1 Method for acylating cyclic compounds E.I. DU PONT DE NEMOURS AND COMPANY 2002-04-25 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 (2 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-20020049317-A1 Method for acylating cyclic compounds LCAT, ACOT7, AGPAT5 MAPT 4261/4885KMT2A 1389/4885PKM 2242/4885
US-20030232984-A1 Method for acylating cyclic compounds LCAT, ACOT7, AGPAT5 MAPT 4261/4885KMT2A 1389/4885PKM 2242/4885

“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.