SCHEMBL2739342

SCHEMBL2739342

CC(C)c1ccccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
RXFP1 Q9HBX9 2/20 0.53
IDH2 P48735 2/20 0.51
YAP1 P46937 1/20 0.51
TEAD4 Q15561 1/20 0.51
TEAD2 Q15562 1/20 0.51
RAPGEF4 Q8WZA2 1/20 0.50
P2RY1 P47900 1/20 0.49
ADORA2A P29274 1/20 0.48
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
DHODH Q02127 1/20 0.47

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
SCHEMBL21562592 0.88 ALDH1A1 (0.58) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL1921484 0.84 MAPT (0.77) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL6724079 0.81 P2RY1 (0.54) ALDH1A1MAPTRAB9ASMN1; SMN2RXFP1
SCHEMBL20693799 0.81 ALDH1A1 (0.69) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL10215929 0.80 GAA (0.67) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL2739344 0.78 LMNA (0.64) ALDH1A1IDH2TEAD4DHODH
SCHEMBL11566545 0.77 ALDH1A1 (0.68) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20551660 0.76 GAA (0.67) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL29414647 0.76 MAPT (1.00) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL4064881 0.76 MAPT (1.00) ALDH1A1GAAMAPTRAB9ASMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304409-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-11-06 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-7883714-B2 (2R)-2,3-bis(nitrooxy)propyl(2S)-2(6-methoxy(2-naphthyl)propanoate, used for treating inflammation, pain and fever; gastrointestinal disorders; wound healing agents; preventing gastrointestinal, renal and/or respiratory toxicities; side effect reduction; kits NICOX S.A. (FR) 2011-02-08 US disclosed
US-7883714-B2 (2R)-2,3-bis(nitrooxy)propyl(2S)-2(6-methoxy(2-naphthyl)propanoate, used for treating inflammation, pain and fever; gastrointestinal disorders; wound healing agents; preventing gastrointestinal, renal and/or respiratory toxicities; side effect reduction; kits NICOX S.A. (FR) 2011-02-08 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-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 US disclosed
US-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 US disclosed
US-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 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-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
EP-1437132-B1 Use of nitric ester derivatives in the manufacture of a medicament for the treatment of gastrointestinal tumors NICOX SA (FR) 2008-12-03 EP disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 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-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 ALDH1A1 385/4885GAA 4222/4885MAPT 3779/4885
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 ALDH1A1 630/4885GAA 4607/4885MAPT 3101/4885
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NOS2, NOS1, NOS3 ALDH1A1 377/4885GAA 3632/4885MAPT 3591/4885
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 ALDH1A1 385/4885GAA 4222/4885MAPT 3779/4885
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 ALDH1A1 385/4885GAA 4222/4885MAPT 3779/4885
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NOS2, NOS1, NOS3 ALDH1A1 172/4885GAA 2612/4885MAPT 3503/4885

“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.