SCHEMBL4282427

SCHEMBL4282427

O=[N+]([O-])c1c[c]cc(Oc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 4/20 0.46
HTT P42858 1/20 0.46
PGR P06401 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALOX5 P09917 1/20 0.44
FFAR1 O14842 2/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSPB1 P04792 1/20 0.43
TLR4 O00206 2/20 0.43
TLR2 O60603 2/20 0.43
CHEK2 O96017 1/20 0.43
TSHR P16473 2/20 0.43
MLNR O43193 1/20 0.43
MMP1 P03956 1/20 0.43
MPO P05164 1/20 0.43

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
SCHEMBL1720258 0.85 LTA4H (0.40) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL9987740 0.83 HSPB1 (0.67) KDM4EALDH1A1LMNAHTTMEN1
SCHEMBL16705739 0.82 LMNA (0.65) KDM4EALDH1A1LMNAHTTPGR
SCHEMBL4456862 0.80 ALDH1A1 (0.60) KDM4EALDH1A1LMNAPGRMEN1
Diphenylether SCHEMBL28998326 0.79 ALDH1A1 (0.73) KDM4EALDH1A1LMNAPGRMEN1
SCHEMBL1451040 0.79 LTA4H (0.60) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL457863 0.77 HSPB1 (0.68) KDM4EALDH1A1LMNAHTTMEN1
SCHEMBL27680824 0.75 HSPB1 (0.54) KDM4EALDH1A1LMNAHTTMEN1
SCHEMBL25139682 0.75 LMNA (0.65) KDM4EALDH1A1LMNAHTTPGR
SCHEMBL16705740 0.75 MEN1 (0.71) KDM4EALDH1A1LMNAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104884458-B fused heterocyclic compounds as protein kinase inhibitors 百济神州有限公司 2017-04-12 CN disclosed
CN-104884458-A Fused heterocyclic compounds as protein kinase inhibitors BEIGENE LTD 2015-09-02 CN 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-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-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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 (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 KDM4E 2542/4885ALDH1A1 4359/4885LMNA 210/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KDM4E 2421/4885ALDH1A1 4381/4885LMNA 187/4885

“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.