SCHEMBL4421848

SCHEMBL4421848

CC(=O)Oc1cc(Cl)ccc1C(=O)NCCO[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 2/20 0.45
PTGS2 P35354 2/20 0.44
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.42
AKR1B1 P15121 2/20 0.41
PYGL P06737 1/20 0.41
CYP1A2 P05177 2/20 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
SCHEMBL9082797 0.91 MEN1 (0.50) KMT2ANPC1MEN1PTGS2CYP2C19
SCHEMBL9083520 0.85 TP53 (0.47) KMT2ANPC1MEN1PTGS2L3MBTL1
SCHEMBL9084136 0.83 ALDH1A1 (0.54) KMT2ANPC1MEN1PTGS2POLB
SCHEMBL9545778 0.83 PTGS2 (0.62) KMT2ANPC1MEN1PTGS2POLB
SCHEMBL9085187 0.82 PTGS2 (0.41) KMT2ANPC1MEN1PTGS2POLB
SCHEMBL9082978 0.79 PTGS2 (0.49) KMT2ANPC1MEN1PTGS2POLB
SCHEMBL9085960 0.76 ALDH1A1 (0.50) KMT2ANPC1MEN1PTGS2POLB
SCHEMBL4553089 0.74 PTGS2 (0.67) KMT2ANPC1MEN1PTGS2RAB9A
SCHEMBL12103324 0.74 PTGS2 (0.57) KMT2ANPC1MEN1PTGS2POLB
SCHEMBL4432503 0.73 KMT2A (0.59) KMT2ANPC1MEN1L3MBTL1RAB9A

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
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-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
US-5861426-A NITRO ESTERS OF AROMATIC COMPOUNDS WITH AMIDE OR ESTER GROUPS NICOX S.A. (FR) 1999-01-19 US 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
US-5589490-A BENZAMIDE DERIVATIVES WITH NITROXY ALKYL GROUPS ITALFARMACO S.P.A. (IT) 1996-12-31 US 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 3873/4885NPC1 1619/4885MEN1 1445/4885
US-20050101661-A1 Use of nitroderivatives in urinary incontinence NR0B1, NOX1, AKR1C1 KMT2A 3586/4885NPC1 1980/4885MEN1 4605/4885

“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.