SCHEMBL2803707

SCHEMBL2803707

[CH2]CNC(=O)c1cccc(CO[N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.55
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL13685883 0.81 TMEM97 (0.53) TMEM97RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL220610 0.80 TMEM97 (0.57) TMEM97RAB9AHPGDSMN1; SMN2NPC1
SCHEMBL13105644 0.79 TMEM97 (0.59) TMEM97RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL12861015 0.79 MAOB (0.58) TMEM97ALDH1A1
SCHEMBL3122259 0.76 TMEM97 (0.48) TMEM97RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL13016805 0.76 TMEM97 (0.48) TMEM97RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL8026418 0.76 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL3112716 0.75 TMEM97 (0.50) TMEM97RAB9AALDH1A1SMN1; SMN2NPSR1
SCHEMBL17369723 0.75 TMEM97 (0.47) TMEM97RAB9A
SCHEMBL6533444 0.74 TMEM97 (0.55) TMEM97RAB9AALDH1A1ATMPOLB

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-2620433-B1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-05-13 EP disclosed
EP-2481725-B1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-03-04 EP disclosed
US-8815920-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-08-26 US disclosed
US-8669246-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-03-11 US disclosed
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-09-05 US disclosed
EP-2620433-A1 SUBSTITUTED AMIDE COMPOUND Astellas Pharma Inc. (JP) 2013-07-31 EP disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-8222277-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-07-17 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
EP-1539729-A4 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-02-20 EP disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 US disclosed
US-20050222243-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED, INC. (US) 2005-10-06 US disclosed
EP-1539729-A2 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-06-15 EP disclosed
US-20040024057-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications NITROMED, INC. 2004-02-05 US disclosed
WO-2004004648-A2 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-01-15 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 (5 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-20040024057-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications NOS2, NOS1, NOS3 TMEM97 2102/4885RAB9A 2571/4885ALDH1A1 383/4885
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 TMEM97 2057/4885RAB9A 2590/4885ALDH1A1 385/4885
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 TMEM97 986/4885RAB9A 1443/4885ALDH1A1 3512/4885
US-20050222243-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NOS2, NOS1, NOS3 TMEM97 2057/4885RAB9A 2590/4885ALDH1A1 385/4885
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 TMEM97 924/4885RAB9A 1308/4885ALDH1A1 3520/4885

“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.