SCHEMBL4770892

SCHEMBL4770892

Cc1cccc(CN(c2ccc(N(C=O)Cc3ccc(C(F)(F)F)nc3)cc2)S(C)(=O)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
HDAC6 Q9UBN7 2/20 0.40
CNR1 P21554 4/20 0.39
CNR2 P34972 4/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PTGS2 P35354 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGS1 P23219 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
AGTR1 P30556 1/20 0.35
GRM2 Q14416 1/20 0.34

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
SCHEMBL4773593 0.91 CNR1 (0.36) LMNAPOLBHDAC6CNR1CNR2
SCHEMBL4773550 0.90 HDAC6 (0.44) LMNAHDAC6HDAC1HDAC5TRPM8
SCHEMBL5571422 0.90 LMNA (0.40) LMNAPOLBHDAC6CNR1CNR2
SCHEMBL4769798 0.88 GRM2 (0.44) LMNACNR1CNR2NPSR1GRM2
SCHEMBL4771247 0.85 ALDH1A1 (0.42) LMNAPOLBHDAC6CNR1CNR2
SCHEMBL4775075 0.84 CNR2 (0.37) LMNAPOLBCNR1CNR2NR1H2
SCHEMBL4776637 0.84 RECQL (0.36) LMNAPOLBHDAC6CNR1CNR2
SCHEMBL4773365 0.84 LMNA (0.36) LMNAHDAC6PTGS2RECQLSMN1; SMN2
SCHEMBL4772420 0.83 GAA (0.37) LMNAPOLBHDAC6NR1H2NR1H3
SCHEMBL4770843 0.83 LMNA (0.36) LMNAPOLBHDAC6CNR1CNR2

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 LMNA 1022/4885POLB 292/4885HDAC6 137/4885

“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.