SCHEMBL2760397

SCHEMBL2760397

Cc1ccccc1Nc1c(Cl)ccc(C)c1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.65
MEN1 O00255 2/20 0.65
MAPK1 P28482 2/20 0.65
KMT2A Q03164 2/20 0.65
METTL3 Q86U44 2/20 0.65
AKR1B10 O60218 1/20 0.65
ABCB11 O95342 1/20 0.65
TTR P02766 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
CHRM1 P11229 1/20 0.65
FABP2 P12104 1/20 0.65
RXRA P19793 1/20 0.65
TBXA2R P21731 1/20 0.65
NR4A1 P22736 1/20 0.65
PTGS1 P23219 1/20 0.65
PDE4A P27815 1/20 0.65
AKR1C3 P42330 1/20 0.65
NR4A2 P43354 1/20 0.65
AKR1C2 P52895 1/20 0.65
AKR1C1 Q04828 1/20 0.65

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
SCHEMBL20694079 0.84 PTGS2 (0.60) PTGS2MEN1MAPK1KMT2AMETTL3
SCHEMBL2760393 0.82 PTGS2 (0.54) PTGS2MEN1MAPK1KMT2AMETTL3
SCHEMBL2739334 0.82 PTGS2 (0.57) PTGS2MEN1MAPK1KMT2AMETTL3
SCHEMBL9682992 0.80 PTGS2 (0.56) PTGS2MEN1MAPK1KMT2AMETTL3
SCHEMBL20693712 0.80 CLCN2 (0.67) PTGS2MEN1MAPK1KMT2AMETTL3
SCHEMBL11013375 0.80 PTGS2 (0.59) PTGS2MEN1MAPK1KMT2AMETTL3
SCHEMBL8352685 0.80 CLCN2 (0.71) PTGS2MEN1MAPK1KMT2AMETTL3
SCHEMBL8349866 0.80 PTGS2 (0.59) PTGS2MEN1MAPK1KMT2AMETTL3
SCHEMBL7162249 0.79 PTGS2 (0.58) PTGS2MEN1MAPK1KMT2AMETTL3
SCHEMBL7346365 0.79 PTGS2 (0.79) PTGS2MEN1MAPK1KMT2AMETTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2016-04-21 US disclosed
US-9216224-B2 Fatty acid COX inhibitor derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-12-22 US disclosed
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES CATABASIS PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-8088762-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-01-03 US disclosed
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NICOX S.A. (IT) 2011-04-28 US disclosed
US-7754772-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX, S.A. (FR) 2010-07-13 US disclosed
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-06-03 US disclosed
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NICOX SA 2009-07-02 US disclosed
US-7544711-B2 Use of nitroderivatives in urinary incontinence NICOX S.A. (FR) 2009-06-09 US disclosed
US-20090096314-A1 ELECTRIC MOTOR HONDA MOTOR CO., LTD. (JP) 2009-04-16 US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 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 (6 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-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 PTGS2 12/4885MEN1 4231/4885MAPK1 2465/4885
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NOS2, NOS1, NOS3 PTGS2 7/4885MEN1 3743/4885MAPK1 1347/4885
US-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES PTGES, PTGES2, ALOX5 PTGS2 7/4885MEN1 4477/4885MAPK1 1159/4885
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES GAA, GUSB, ACER2 PTGS2 1008/4885MEN1 2898/4885MAPK1 4290/4885
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 PTGS2 7/4885MEN1 3352/4885MAPK1 1465/4885
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NOS2, NOS1, NOS3 PTGS2 30/4885MEN1 4337/4885MAPK1 2173/4885

“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.