SCHEMBL5470769

SCHEMBL5470769

O=C(COCc1ccccc1)Nc1nccc(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.53
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ABL1 P00519 3/20 0.47
▸ BCR P11274 3/20 0.47
▸ PRKCA P17252 3/20 0.47
▸ EGFR P00533 2/20 0.47
▸ SRC P12931 1/20 0.47
▸ PPIA P62937 1/20 0.44
▸ GAA P10253 2/20 0.44
▸ VCP P55072 1/20 0.44
▸ ERBB2 P04626 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 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
SCHEMBL5477050 0.87 PLK1 (0.56) PLK1MEN1KMT2AADORA3ADORA2A
SCHEMBL5477996 0.85 ADORA1 (0.61) ADORA3ADORA2AADORA1GAAVCP
SCHEMBL5465315 0.79 PLK1 (0.61) PLK1MEN1KMT2AADORA1ABL1
SCHEMBL5460119 0.79 ADORA3 (0.53) MEN1KMT2AADORA3ADORA2AADORA1
SCHEMBL5466993 0.79 ADORA3 (0.53) ADORA3ADORA2AADORA1GAACSNK1D
SCHEMBL5460107 0.74 ADORA2A (0.50) MEN1KMT2AADORA3ADORA2AADORA1
SCHEMBL7913090 0.72 NPC1 (0.51) PLK1MEN1KMT2AMAPTALDH1A1
SCHEMBL5471802 0.72 RAB9A (0.60) PLK1MEN1KMT2AABL1BCR
SCHEMBL1469231 0.72 PLK1 (0.57) PLK1ADORA2AADORA1ABL1BCR
SCHEMBL4733651 0.72 PLK1 (0.84) PLK1MEN1KMT2AABL1BCR

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 3377/4885MEN1 2400/4885KMT2A 2631/4885

“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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