SCHEMBL3665715

SCHEMBL3665715

CC(=O)Nc1ccc(OC(=O)CCOC(C)O[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ OPRK1 P41145 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ CYP2D6 P10635 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
SCHEMBL4132946 0.81 KMT2A (0.55) MAPTKMT2AMEN1OPRK1ALDH1A1
SCHEMBL4128792 0.80 KMT2A (0.54) MAPTKMT2AMEN1OPRK1ALDH1A1
SCHEMBL1535317 0.79 MAPT (0.50) MAPTKMT2AMEN1OPRK1ALDH1A1
SCHEMBL1535326 0.78 MAPT (0.52) MAPTKMT2AMEN1OPRK1ALDH1A1
SCHEMBL10121449 0.78 KMT2A (0.48) MAPTKMT2AMEN1OPRK1ALDH1A1
SCHEMBL10019901 0.77 MAPT (0.51) MAPTKMT2AMEN1OPRK1ALDH1A1
SCHEMBL10121453 0.76 KMT2A (0.55) MAPTKMT2AMEN1OPRK1ALDH1A1
SCHEMBL10121450 0.75 KMT2A (0.57) MAPTKMT2AMEN1OPRK1ALDH1A1
SCHEMBL17268631 0.73 KMT2A (0.48) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL27476119 0.72 OPRK1 (0.66) MAPTKMT2AMEN1OPRK1ALDH1A1

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 16 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 claimed
EP-1339665-B1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX SA (FR) 2007-12-19 — — EP claimed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 — — US claimed
EP-1339665-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS Nicox S.A. (FR) 2003-09-03 — — EP claimed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 — — WO claimed
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
EP-2229161-A2 COMPOSITION COMPRISING A NITROOXYDERIVATIVE OF ACETAMINOPHEN AND A ANTICONVULSANT DRUG FOR THE TREATMENT OF NEUROPATHIC PAIN Nicox S.A. (FR) 2010-09-22 — — EP 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
EP-1339665-B1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX SA (FR) 2007-12-19 — — EP disclosed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 — — US disclosed
EP-1339665-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS Nicox S.A. (FR) 2003-09-03 — — EP disclosed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 — — WO 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 (4 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 MAPT 3082/4885KMT2A 3396/4885MEN1 4805/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 MAPT 3385/4885KMT2A 2845/4885MEN1 4552/4885
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 MAPT 1569/4885KMT2A 2615/4885MEN1 4828/4885
US-20100286264-A1 COMPOSITION COMPRISING A NITROOXYDERIVATIVE OF ACETAMINOPHEN AND A ANTICONVULSANT DRUG FOR THE TREATMENT OF NEUROPATHIC PAIN NOS3, NOS1, PTGS1 MAPT 1021/4885KMT2A 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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