SCHEMBL8031422

SCHEMBL8031422

CC(=O)Nc1ccc(OC(=O)CCOCCON(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.53
▸ KMT2A Q03164 9/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ HSD17B10 Q99714 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ HTT P42858 1/20 0.42
▸ HPGD P15428 1/20 0.41

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
SCHEMBL8020423 0.87 OPRK1 (0.56) OPRK1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL10051381 0.86 OPRK1 (0.54) OPRK1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL4121655 0.84 KMT2A (0.57) OPRK1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL4128787 0.83 KMT2A (0.55) OPRK1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL13266516 0.81 KMT2A (0.41) KMT2AMEN1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL1535317 0.80 MAPT (0.50) OPRK1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL10051151 0.79 ALDH1A1 (0.65) OPRK1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL20734934 0.79 KMT2A (0.51) OPRK1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL27476119 0.76 OPRK1 (0.66) OPRK1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL12291744 0.75 KMT2A (0.75) OPRK1KMT2AMEN1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286264-A1 COMPOSITION COMPRISING A NITROOXYDERIVATIVE OF ACETAMINOPHEN AND A ANTICONVULSANT DRUG FOR THE TREATMENT OF NEUROPATHIC PAIN NICOX S.A. (FR) 2010-11-11 — — US disclosed
WO-2010108843-A1 USE OF NITROOXYDERIVATIVE OF PARACETAMOL FOR THE TREATMENT OF MUSCULAR DYSTROPHIES NICOX S.A. (FR) 2010-09-30 — — WO disclosed
US-7629368-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2009-12-08 — — US disclosed
WO-2009087005-A2 COMPOSITION COMPRISING A NITROOXYDERIVATIVE OF ACETAMINOPHEN AND A ANTICONVULSANT DRUG FOR THE TREATMENT OF NEUROPATHIC PAIN NICOX S.A. (FR) 2009-07-16 — — WO disclosed
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2009-03-19 — — US disclosed
US-7465803-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2008-12-16 — — US disclosed
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2008-08-14 — — 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 (3 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-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR0B1, NOX1 OPRK1 82/4885KMT2A 3396/4885MEN1 4805/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 OPRK1 120/4885KMT2A 2845/4885MEN1 4552/4885
US-20100286264-A1 COMPOSITION COMPRISING A NITROOXYDERIVATIVE OF ACETAMINOPHEN AND A ANTICONVULSANT DRUG FOR THE TREATMENT OF NEUROPATHIC PAIN NOS3, NOS1, PTGS1 OPRK1 25/4885KMT2A 4450/4885MEN1 4384/4885

“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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