SCHEMBL4775200

SCHEMBL4775200

O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CA2 P00918 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
PPARG P37231 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4776525 0.92 PPARA (0.47) L3MBTL1SMN1; SMN2CA2CA1PPARG
SCHEMBL4777500 0.91 EPHX2 (0.45) L3MBTL1SMN1; SMN2KDM4EPOLBTSHR
SCHEMBL4776480 0.91 PPARG (0.44) L3MBTL1SMN1; SMN2CA2KDM4EPOLB
SCHEMBL4773551 0.89 PPARA (0.45) L3MBTL1SMN1; SMN2KDM4EPOLBTSHR
SCHEMBL4771091 0.89 EPHX2 (0.43) L3MBTL1SMN1; SMN2CA2KDM4EPOLB
SCHEMBL4773543 0.87 EPHX2 (0.42) L3MBTL1SMN1; SMN2KDM4EPPARGLMNA
SCHEMBL5571827 0.87 ALDH1A1 (0.46) KDM4EPPARGLMNAALDH1A1PPARA
SCHEMBL4773523 0.86 EPHX2 (0.41) L3MBTL1SMN1; SMN2CA2KDM4EPOLB
SCHEMBL4777299 0.85 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2CA2POLBHDAC6
SCHEMBL4777461 0.84 TSHR (0.55) SMN1; SMN2TSHRTDP1HDAC2HDAC8

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 L3MBTL1 2781/4885SMN1; SMN2 1149/4885CA2 2238/4885

“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.