SCHEMBL3670758

SCHEMBL3670758

CCCCCn1c(O)nc2ncc(Cl)c(C=NO)c21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL3667744 0.87 CNR2 (0.32) CNR2ALDH1A1KDM4EGAAHTT
SCHEMBL3671323 0.87 CNR2 (0.32) CNR2ALDH1A1KDM4EGAAHTT
SCHEMBL3667609 0.85 CNR2 (0.32) CNR2ALDH1A1KDM4EGAA
SCHEMBL3673666 0.85 CNR2 (0.32) CNR2ALDH1A1KDM4EGAA
SCHEMBL3670761 0.83 ALDH1A1 (0.33) CNR2ALDH1A1KDM4EGAAHTT
SCHEMBL3665450 0.83 ALDH1A1 (0.33) CNR2ALDH1A1KDM4EGAAHTT
SCHEMBL3668665 0.82 TLR8 (0.34) CNR2ALDH1A1KDM4EGAAHTT
SCHEMBL3670329 0.81 TLR8 (0.34) CNR2ALDH1A1KDM4EGAAMEN1
SCHEMBL3672433 0.81 GAA (0.37) CNR2ALDH1A1GAAHTTMEN1
SCHEMBL3667059 0.81 GAA (0.37) CNR2ALDH1A1GAAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 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 (1 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 CNR2 4694/4885POLB 721/4885ALDH1A1 4750/4885

“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.