SCHEMBL5863497

SCHEMBL5863497

O=c1c2cc([N+](=O)[O-])ccc2cnn1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
ACHE P22303 2/20 0.51
CNR2 P34972 2/20 0.51
CNR1 P21554 1/20 0.51
KAT2B Q92831 1/20 0.50
DHFR P00374 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
G6PD P11413 1/20 0.47
TLR9 Q9NR96 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5864274 0.88 PDE5A (0.43) TDP1KAT2BMEN1KMT2AALDH1A1
SCHEMBL28899217 0.85 MAPT (0.52) CNR2KAT2BMEN1KMT2A
SCHEMBL5864200 0.83 CFTR (0.48) TDP1G6PDTLR9ALDH1A1
SCHEMBL9874375 0.83 GLS (0.50) KAT2BMEN1KMT2AG6PDTLR9
SCHEMBL20775125 0.83 RECQL (0.57) ACHECNR2CNR1KAT2B
SCHEMBL1728790 0.81 GLS (0.64) ACHECNR2CNR1KAT2BALDH1A1
SCHEMBL5863967 0.80 TDP1 (0.56) TDP1ACHECNR2CNR1DHFR
SCHEMBL14966684 0.79 GLS (0.45) KAT2BMEN1KMT2AG6PDTLR9
SCHEMBL29703247 0.78 TDP1 (0.72) TDP1MEN1KMT2AALDH1A1HTT
SCHEMBL9027681 0.78 TDP1 (0.72) TDP1MEN1KMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC TDP1 3540/4885ACHE 2005/4885CNR2 98/4885

“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.