SCHEMBL4281848

SCHEMBL4281848

O=C(Nc1ccc(F)cc1)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.62
HTT P42858 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.60
ALDH1A1 P00352 5/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 8/20 0.54
MEN1 O00255 6/20 0.54
MAPT P10636 6/20 0.52
MAPK1 P28482 2/20 0.52
FFAR4 Q5NUL3 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MYOC Q99972 1/20 0.49
CDK8 P49336 1/20 0.48
GAA P10253 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
SCHEMBL17104295 0.88 SMN1; SMN2 (0.69) LMNAHTTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL1720684 0.80 LMNA (0.81) LMNAHTTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4276324 0.78 TAAR1 (0.64) LMNAHTTALDH1A1CYP1A2KMT2A
SCHEMBL2180295 0.78 GRM5 (0.71) LMNAHTTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL17104325 0.76 ALDH1A1 (0.57) LMNAHTTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4475032 0.76 SMN1; SMN2 (0.60) LMNAHTTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8104824 0.75 MEN1 (0.85) LMNAHTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4478258 0.75 MEN1 (0.56) LMNAHTTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4477204 0.74 LMNA (0.73) LMNAHTTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4477206 0.73 ALDH1A1 (1.00) LMNAHTTSMN1; SMN2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
EP-1615878-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2007-09-19 EP disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
EP-1615878-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2006-01-18 EP disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 US disclosed
WO-2004064730-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-08-05 WO disclosed
WO-2004064730-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-08-05 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 LMNA 210/4885HTT 2783/4885SMN1; SMN2 658/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 LMNA 187/4885HTT 3069/4885SMN1; SMN2 676/4885

“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.