SCHEMBL5863841

SCHEMBL5863841

O=C(O)c1cccc(C2CNCCN2)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
TSHR P16473 1/20 0.38
NR4A1 P22736 3/20 0.36
FABP4 P15090 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSPD1 P10809 1/20 0.34
HSPE1 P61604 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
DNA2 P51530 1/20 0.33
CASP6 P55212 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
GRK2 P25098 1/20 0.32

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
SCHEMBL30109175 0.82 PARP1 (0.44) PARP1TSHRPOLBHPGDSMN1; SMN2
SCHEMBL15203701 0.82 PARP1 (0.44) PARP1TSHRPOLBHPGDSMN1; SMN2
SCHEMBL31056891 0.81 PARP1 (0.44) PARP1CASP6HPGDKMT2ASMN1; SMN2
SCHEMBL27972715 0.80 TSHR (0.37) TSHRNR4A1FABP4HSP90AA1HSPD1
SCHEMBL11200096 0.79 ERN1 (0.36) PARP1
SCHEMBL9691905 0.78 PARP1 (0.31) PARP1
Hydrochloric Acid SCHEMBL11193529 0.78 ERN1 (0.35) PARP1
SCHEMBL28322283 0.77 DRD2 (0.42) TSHR
SCHEMBL27977978 0.75 PARP1 (0.40) PARP1TSHRTDP1MEN1POLB
SCHEMBL1920735 0.74 TSHR (0.41) TSHRNR4A1FABP4HSP90AA1HSPD1

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 PARP1 4548/4885TSHR 1383/4885NR4A1 184/4885

“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.