SCHEMBL4776637

SCHEMBL4776637

Cc1cccc(CN(c2ccc(N(C=O)Cc3ccc(C(F)(F)F)nc3)cc2)S(C)(=O)=O)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
HDAC6 Q9UBN7 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
AGTR1 P30556 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
SCHEMBL4776872 0.92 RECQL (0.39) RECQLALDH1A1LMNANR1H2NR1H3
SCHEMBL4771247 0.92 ALDH1A1 (0.42) RECQLALDH1A1LMNAMEN1KMT2A
SCHEMBL4770843 0.90 LMNA (0.36) RECQLALDH1A1LMNAMEN1KMT2A
SCHEMBL4773365 0.87 LMNA (0.36) RECQLALDH1A1LMNAMEN1KMT2A
SCHEMBL4772420 0.86 GAA (0.37) RECQLLMNAMEN1KMT2ANR1H2
SCHEMBL4770841 0.86 CNR1 (0.37) RECQLALDH1A1NR1H2NR1H3KDM4E
SCHEMBL4768261 0.86 TRPM8 (0.38) RECQLALDH1A1HDAC6TRPM8AGTR1
SCHEMBL4772997 0.85 TRPM8 (0.39) ALDH1A1HDAC6HDAC1HDAC5KDM4E
SCHEMBL4772347 0.85 GAA (0.37) RECQLLMNAMEN1KMT2ANR1H2
SCHEMBL5571164 0.85 GAA (0.44) ALDH1A1LMNAMEN1KMT2ANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US 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 RECQL 139/4885ALDH1A1 2159/4885LMNA 1022/4885

“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.