SCHEMBL3672433

SCHEMBL3672433

CCCCCn1c(O)nc2ncc(Cl)c(/C=N/OCc3ccccc3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.37
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
RET P07949 1/20 0.33
ALDH1A1 P00352 4/20 0.33
USP2 O75604 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR2 P34972 2/20 0.33
TSHR P16473 2/20 0.33
XBP1 P17861 1/20 0.33
CNOT7 Q9UIV1 4/20 0.32
TLR4 O00206 1/20 0.32
TLR3 O15455 1/20 0.32

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
SCHEMBL3667059 1.00 GAA (0.37) GAASMN1; SMN2MEN1KMT2AHTT
SCHEMBL3667744 0.84 CNR2 (0.32) GAAMEN1KMT2AHTTALDH1A1
SCHEMBL3671323 0.84 CNR2 (0.32) GAAMEN1KMT2AHTTALDH1A1
SCHEMBL3665450 0.83 ALDH1A1 (0.33) GAAMEN1KMT2AHTTALDH1A1
SCHEMBL3670761 0.83 ALDH1A1 (0.33) GAAMEN1KMT2AHTTALDH1A1
SCHEMBL3667060 0.82 GAA (0.37) GAASMN1; SMN2MEN1KMT2AHTT
SCHEMBL3668455 0.82 GAA (0.37) GAASMN1; SMN2MEN1KMT2AHTT
SCHEMBL3667058 0.82 GAA (0.37) GAASMN1; SMN2MEN1KMT2AHTT
SCHEMBL3667609 0.81 CNR2 (0.32) GAAALDH1A1CNR2
SCHEMBL3673666 0.81 CNR2 (0.32) GAAALDH1A1CNR2

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 GAA 939/4885SMN1; SMN2 89/4885MEN1 3647/4885

“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.