SCHEMBL6791134

SCHEMBL6791134

CC/C=C/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.60
APP P05067 1/20 0.60
FBP1 P09467 1/20 0.58
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
PTGS1 P23219 2/20 0.51
CYP19A1 P11511 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOB P27338 2/20 0.48
GRIK1 P39086 1/20 0.48
GRIK2 Q13002 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAOA P21397 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
SCHEMBL27298514 1.00 PTGS2 (0.60) PTGS2APPFBP1MAPTNPC1
SCHEMBL2544845 0.85 PTGS2 (0.57) PTGS2APPFBP1MAPTNPC1
SCHEMBL2544846 0.85 PTGS2 (0.57) PTGS2APPFBP1MAPTNPC1
SCHEMBL10557386 0.84 APP (0.64) PTGS2APPFBP1MAPTNPC1
SCHEMBL10557392 0.84 APP (0.64) PTGS2APPFBP1MAPTNPC1
SCHEMBL15689016 0.82 PTGS2 (0.54) PTGS2APPFBP1MAPTNPC1
SCHEMBL15689017 0.82 PTGS2 (0.54) PTGS2APPFBP1MAPTNPC1
SCHEMBL3120685 0.82 PTGS2 (0.56) PTGS2APPFBP1MAPTNPC1
SCHEMBL6437741 0.81 PTGS2 (0.53) PTGS2APPFBP1MAPTNPC1
SCHEMBL6437682 0.81 PTGS2 (0.53) PTGS2APPFBP1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF NORTHWEST UNIVERSITY (CN) 2017-09-14 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20110166141-A1 CATHEPSIN S INHIBITORS DCB-USA, LLC (US) 2011-07-07 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-7718685-B2 4,5-bis(4-methoxyphenyl)imidizole compound inducing differentiation of myoblasts or muscle fibers and pharmaceutical compositions including said compound INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2010-05-18 US disclosed
US-20100105726-A1 IMIDAZOLE DERIVATIVES THAT INDUCE APOPTOSIS AND THEIR THERAPEUTIC USES INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2010-04-29 US disclosed
US-20070123576-A1 Compounds inducing differentiation of myoblasts or muscle fibers into neuron cells, pharmaceutical composition including said compounds, a method for inducing neuron differentiation and a screening method for identifying additional compounds useful for inducing neuron differentiation INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2007-05-31 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 (8 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-20100105726-A1 IMIDAZOLE DERIVATIVES THAT INDUCE APOPTOSIS AND THEIR THERAPEUTIC USES NFATC1, AIFM1, TP53 PTGS2 2163/4885APP 690/4885FBP1 3999/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 PTGS2 1106/4885APP 2835/4885FBP1 243/4885
US-20070123576-A1 Compounds inducing differentiation of myoblasts or muscle fibers into neuron cells, pharmaceutical composition including said compounds, a method for inducing neuron differentiation and a screening method for identifying additional compounds useful for inducing neuron differentiation TNNC1, TNNI3, PYGM PTGS2 1151/4885APP 984/4885FBP1 903/4885
US-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF LSS, CYP51A1, BACE1 PTGS2 1097/4885APP 4/4885FBP1 3343/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 PTGS2 734/4885APP 4774/4885FBP1 225/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 PTGS2 667/4885APP 1817/4885FBP1 825/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 PTGS2 51/4885APP 4385/4885FBP1 2197/4885
US-20110166141-A1 CATHEPSIN S INHIBITORS CTSS, CTSV, CTSB PTGS2 1514/4885APP 2104/4885FBP1 1712/4885

“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.