SCHEMBL4777561

SCHEMBL4777561

CC(CN(C=O)c1ccc(N(Cc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
CRY1 Q16526 2/20 0.34
CRY2 Q49AN0 2/20 0.34
PER2 O15055 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL4777347 0.89 NR1H4 (0.39) GAAALDH1A1RECQLMAPTLMNA
SCHEMBL4777314 0.89 GAA (0.38) GAAALDH1A1RECQLMAPTLMNA
SCHEMBL4771365 0.82 GAA (0.37) GAAALDH1A1RECQLMAPTLMNA
SCHEMBL4777570 0.81 GAA (0.43) GAAALDH1A1MAPTLMNACRY1
SCHEMBL4776590 0.80 GAA (0.42) GAAALDH1A1RECQLMAPTLMNA
SCHEMBL4775362 0.79 GAA (0.39) GAAALDH1A1RECQLMAPTLMNA
SCHEMBL5571819 0.78 SLC6A4 (0.42) GAAALDH1A1RECQLMAPTLMNA
SCHEMBL4773540 0.78 GAA (0.43) GAAALDH1A1RECQLMAPTLMNA
SCHEMBL4771056 0.77 GAA (0.37) GAAALDH1A1RECQLMAPTLMNA
SCHEMBL4775060 0.77 GAA (0.39) GAAALDH1A1RECQLMAPTLMNA

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 GAA 466/4885ALDH1A1 2159/4885RECQL 139/4885

“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.