SCHEMBL4777569

SCHEMBL4777569

CS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(C(=O)NCCCN2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 4/20 0.51
TSHR P16473 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
HTR1A P08908 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
KCNH2 Q12809 1/20 0.48
CD274 Q9NZQ7 1/20 0.48

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
SCHEMBL4777321 0.95 ALDH1A1 (0.54) CA12CA9SMN1; SMN2ALDH1A1TSHR
SCHEMBL5572112 0.92 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1GAALMNAHTR1A
SCHEMBL4770929 0.91 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1GAALMNAHTR1A
SCHEMBL4795230 0.91 ALDH1A1 (0.56) ALDH1A1GAALMNAHTR1A
SCHEMBL5571358 0.87 ALDH1A1 (0.54) CA12CA9ALDH1A1GAA
SCHEMBL4777371 0.86 ALDH1A1 (0.57) ALDH1A1GAAHTR1A
SCHEMBL5571747 0.84 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL5571881 0.83 ALDH1A1 (0.51) ALDH1A1GAALMNAHTR1A
SCHEMBL4773266 0.83 GAA (0.54) SMN1; SMN2ALDH1A1GAALMNA
SCHEMBL5571820 0.83 L3MBTL1 (0.52) SMN1; SMN2ALDH1A1TSHRKDM4E

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
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 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 (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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CA12 3437/4885CA9 3792/4885SMN1; SMN2 1149/4885

“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.