SCHEMBL4776751

SCHEMBL4776751

O=C(NCc1ccc(C(F)(F)F)nc1)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.41
NAMPT P43490 2/20 0.40
DGAT2 Q96PD7 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4776657 0.89 LMNA (0.41) P2RX7NAMPTMAPTLMNA
SCHEMBL4767854 0.88 MAPT (0.46) NAMPTDGAT2MAPTLMNAKMT2A
SCHEMBL4776574 0.86 P2RX7 (0.42) P2RX7NAMPTDGAT2
SCHEMBL4775223 0.84 DGAT2 (0.47) P2RX7DGAT2MAPTLMNAKMT2A
SCHEMBL4775016 0.82 DGAT2 (0.46) NAMPTDGAT2MAPTLMNAKMT2A
SCHEMBL4768151 0.81 MAPT (0.49) NAMPTDGAT2MAPTKMT2AMEN1
SCHEMBL4776602 0.80 DGAT2 (0.44) NAMPTDGAT2MAPTLMNAKMT2A
SCHEMBL5572196 0.80 PPARA (0.42) P2RX7NAMPTDGAT2MAPTLMNA
SCHEMBL4776754 0.79 GAA (0.47) P2RX7DGAT2LMNA
SCHEMBL4767775 0.79 ROCK2 (0.47) DGAT2MAPTLMNANPSR1L3MBTL1

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 P2RX7 4514/4885NAMPT 3369/4885DGAT2 3173/4885

“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.