SCHEMBL4773598

SCHEMBL4773598

Cc1cc(C)cc(CN(c2ccc(C(C(N)=O)c3ccc(C(F)(F)F)nc3)cc2)S(C)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AGTR1 P30556 1/20 0.36
P2RX7 Q99572 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 2/20 0.35
TRPA1 O75762 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MAP4K4 O95819 1/20 0.34
PIK3CA P42336 1/20 0.34
KCNH2 Q12809 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
PI4KB Q9UBF8 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
SCHEMBL4770897 0.92 HDAC6 (0.40) KMT2ALMNASMN1; SMN2AGTR1POLB
SCHEMBL4775080 0.90 P2RX7 (0.39) KMT2ALMNAP2RX7MAPTTP53
SCHEMBL4773555 0.86 TRPM8 (0.44) KMT2ALMNATRPM8HDAC6
SCHEMBL4770848 0.85 TRPA1 (0.40) KMT2AL3MBTL1LMNAP2RX7POLB
SCHEMBL4827914 0.85 LMNA (0.41) KMT2ALMNASMN1; SMN2P2RX7MAPT
SCHEMBL4771252 0.85 ALDH1A1 (0.47) KMT2ALMNAAGTR1P2RX7NPC1
SCHEMBL4773370 0.84 ALDH1A1 (0.41) KMT2ALMNASMN1; SMN2AGTR1P2RX7
SCHEMBL4769803 0.84 LMNA (0.41) LMNAMAPTTRPV1
SCHEMBL4775019 0.83 P2RX7 (0.41) KMT2AP2RX7MAPTTP53TRPM8
SCHEMBL4777514 0.83 P2RX7 (0.42) KMT2ALMNAP2RX7MAPTTRPM8

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 KMT2A 1501/4885L3MBTL1 2781/4885LMNA 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.