SCHEMBL4432503

SCHEMBL4432503

CC(=O)Oc1ccc(C(=O)NCCO[N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 5/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
MAPT P10636 3/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4431918 0.85 KMT2A (0.56) KMT2AL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL8957386 0.80 MEN1 (0.70) KMT2AL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL7623974 0.78 KMT2A (0.69) KMT2AL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL11752289 0.78 KMT2A (0.74) KMT2AL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL9152126 0.78 KMT2A (0.56) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9083288 0.78 KMT2A (0.46) KMT2AL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL9475142 0.77 KMT2A (0.59) KMT2AL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL9083520 0.77 TP53 (0.47) KMT2AL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL9545778 0.76 PTGS2 (0.62) KMT2AL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10877017 0.76 NPC1 (0.53) KMT2ANPC1RAB9ASMN1; SMN2MEN1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931065-A2 NITRIC ESTER DERIVATIVES AND THEIR USE IN URINARY INCONTINENCE AND OTHER DISEASES NICOX S.A. (FR) 1999-07-28 EP claimed
WO-1998009948-A2 NITRIC ESTER DERIVATIVES AND THEIR USE IN URINARY INCONTINENCE AND OTHER DISEASES NICOX S.A. (FR) 1998-03-12 WO claimed
US-5589490-A BENZAMIDE DERIVATIVES WITH NITROXY ALKYL GROUPS ITALFARMACO S.P.A. (IT) 1996-12-31 US claimed
EP-0540544-B1 BENZOIC ACID SUBSTITUTED DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO SPA (IT) 1995-02-15 EP claimed
WO-1992001668-A1 BENZOIC ACID SUBSTITUTED DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO S.P.A. (IT) 1992-02-06 WO claimed
US-7544711-B2 Use of nitroderivatives in urinary incontinence NICOX S.A. (FR) 2009-06-09 US disclosed
US-20050101661-A1 Use of nitroderivatives in urinary incontinence NICOX S.A. (FR) 2005-05-12 US disclosed
EP-1473288-A1 Nitric ester derivatives of COX-2 inhibitors and their use for treating inflammation and cardiovascular diseases Nicox S.A. (FR) 2004-11-03 EP disclosed
EP-1437132-A1 Use of nitric ester derivatives in the manufacture of a medicament for the treatment of gastrointestinal tumors Nicox S.A (FR) 2004-07-14 EP disclosed
US-20040082652-A1 Nitric ester derivatives and their use in treating gastrointestinal tumors NICOX S.A. 2004-04-29 US disclosed
EP-0759899-B1 NITRO COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY, ANALGESIC AND ANTI-THROMBOTIC ACITIVITIES NICOX SA (FR) 1999-09-15 EP disclosed
EP-0931065-A2 NITRIC ESTER DERIVATIVES AND THEIR USE IN URINARY INCONTINENCE AND OTHER DISEASES NICOX S.A. (FR) 1999-07-28 EP disclosed
WO-1998009948-A2 NITRIC ESTER DERIVATIVES AND THEIR USE IN URINARY INCONTINENCE AND OTHER DISEASES NICOX S.A. (FR) 1998-03-12 WO disclosed
EP-0759899-A1 NITRO COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY, ANALGESIC AND ANTI-THROMBOTIC ACITIVITIES NICOX S.A. (FR) 1997-03-05 EP disclosed
US-5589490-A BENZAMIDE DERIVATIVES WITH NITROXY ALKYL GROUPS ITALFARMACO S.P.A. (IT) 1996-12-31 US disclosed
WO-1995030641-A1 NITRO COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY, ANALGESIC AND ANTI-THROMBOTIC ACITIVITIES NICOX S.A. (FR) 1995-11-16 WO disclosed
EP-0540544-B1 BENZOIC ACID SUBSTITUTED DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO SPA (IT) 1995-02-15 EP disclosed
US-5366992-A IN MIXTURE WITH AN EXCIPIENT ITALFARMACO S.P.A. (IT) 1994-11-22 US disclosed
EP-0540544-A1 BENZOIC ACID SUBSTITUTED DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY. ITALFARMACO SPA (IT) 1993-05-12 EP disclosed
WO-1992001668-A1 BENZOIC ACID SUBSTITUTED DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO S.P.A. (IT) 1992-02-06 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 (2 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-20040082652-A1 Nitric ester derivatives and their use in treating gastrointestinal tumors NOS1, PTGER1, NOS3 KMT2A 3873/4885L3MBTL1 3846/4885NPC1 1619/4885
US-20050101661-A1 Use of nitroderivatives in urinary incontinence NR0B1, NOX1, AKR1C1 KMT2A 3586/4885L3MBTL1 3874/4885NPC1 1980/4885

“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.