SCHEMBL5465315

SCHEMBL5465315

O=C(Nc1nccc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.61
▸ HDAC2 Q92769 1/20 0.58
▸ TDP2 O95551 3/20 0.57
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ ABL1 P00519 4/20 0.54
▸ BCR P11274 4/20 0.54
▸ PRKCA P17252 4/20 0.54
▸ SRC P12931 2/20 0.54
▸ EGFR P00533 2/20 0.54
▸ PRKD3 O94806 1/20 0.53
▸ PRKCG P05129 1/20 0.53
▸ PRKCB P05771 1/20 0.53

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
SCHEMBL5470733 0.87 MEN1 (0.56) PLK1TDP2KMT2AMEN1MAPT
SCHEMBL5471802 0.83 RAB9A (0.60) PLK1KMT2AMEN1ALDH1A1MAPT
SCHEMBL5470852 0.83 ADORA1 (0.69) MAPTABL1BCRPRKCASRC
SCHEMBL5477050 0.82 PLK1 (0.56) PLK1KMT2AMEN1ALDH1A1MAPT
SCHEMBL5462697 0.81 ALDH1A1 (0.58) TDP2ALDH1A1ABL1BCRPRKCA
SCHEMBL5470769 0.79 PLK1 (0.53) PLK1KMT2AMEN1ALDH1A1MAPT
SCHEMBL5465350 0.78 SIRT2 (0.68) ABL1BCRPRKCASRCPRKD3
SCHEMBL5466956 0.78 JAK2 (0.72) PLK1KMT2AALDH1A1MAPTABL1
SCHEMBL5465537 0.78 KMO (0.61) ALDH1A1MAPTABL1BCRPRKCA
SCHEMBL15688998 0.77 MEN1 (0.87) HDAC2KMT2AMEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099938-A1 Antistress drug and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-03 — — US disclosed
EP-1679309-A1 ANTISTRESS DRUG AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — 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-20070099938-A1 Antistress drug and medical use thereof NPSR1, MC2R, SRR PLK1 3377/4885HDAC2 1336/4885TDP2 2886/4885

“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.

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