SCHEMBL2300121

SCHEMBL2300121

CCCCCn1c(O)nc2ncc(Cl)c(-c3cccc(COC)c3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
ERN1 O75460 1/20 0.34
TP53 P04637 1/20 0.33
APLNR P35414 1/20 0.33
FFAR1 O14842 4/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33
JAK1 P23458 1/20 0.33
DYRK1A Q13627 1/20 0.32
BACE1 P56817 1/20 0.32
TLR8 Q9NR97 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL2300092 0.89 NR1H2 (0.36) TGFBR1TLR7TP53TLR8GABRP
SCHEMBL2300163 0.89 SMN1; SMN2 (0.32) TP53ESR1
SCHEMBL3398950 0.88 DPP4 (0.36) TLR7TP53TLR8GABRPGABRD
SCHEMBL2302606 0.88 GCGR (0.40) TP53TLR8ESR1
SCHEMBL2299251 0.86 AURKA (0.42) TLR7TP53
SCHEMBL2298970 0.86 TLR8 (0.44) TLR7TP53JAK1TLR8
SCHEMBL2302534 0.86 TLR8 (0.44) TP53TLR8GABRPGABRDGABRA1
SCHEMBL2295859 0.85 TP53 (0.47) TP53TLR8
SCHEMBL2298814 0.85 KDM4E (0.42) TP53TLR8
SCHEMBL2297390 0.84 TLR8 (0.43) TP53JAK1TLR8

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
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-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 TGFBR1 2805/4885TLR7 4866/4885ERN1 2345/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 TGFBR1 2747/4885TLR7 4860/4885ERN1 2319/4885

“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.