SCHEMBL2297859

SCHEMBL2297859

OCCn1c(O)nc2ncc(Cl)c(-c3ccccc3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ESR1 P03372 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
CHEK1 O14757 1/20 0.31
WEE1 P30291 1/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
PADI4 Q9UM07 1/20 0.31
SYK P43405 1/20 0.31
CDC7 O00311 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL2298814 0.85 KDM4E (0.42) TSHRKDM4EGAATP53ALDH1A1
SCHEMBL2299677 0.76 ESR1 (0.38) KMT2AMEN1SMN1; SMN2KDM4EGAA
SCHEMBL2300694 0.76 TLR8 (0.39) KMT2AMEN1NPSR1KDM4EALDH1A1
SCHEMBL2302534 0.76 TLR8 (0.44) TSHRKMT2AMEN1NPSR1GAA
SCHEMBL2300092 0.76 NR1H2 (0.36) TLR7TP53
SCHEMBL2297601 0.75 RECQL (0.34) LMNASMN1; SMN2NPSR1KDM4EGAA
SCHEMBL2297571 0.75 TLR8 (0.37) LMNAKDM4ETP53
SCHEMBL2298472 0.75 RIPK3 (0.35) TSHRLMNAHTTSMN1; SMN2NPSR1
SCHEMBL2297367 0.75 RECQL (0.32)
SCHEMBL2295859 0.75 TP53 (0.47) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO claimed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 US disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US 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 (2 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 TSHR 846/4885KMT2A 3986/4885LMNA 392/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 TSHR 904/4885KMT2A 4071/4885LMNA 409/4885

“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.