SCHEMBL3399430

SCHEMBL3399430

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccc(CO)cc3)c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
STAT3 P40763 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TLR7 Q9NYK1 2/20 0.32
ESR1 P03372 2/20 0.31
HSD11B1 P28845 1/20 0.31
PGR P06401 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 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
SCHEMBL3399600 0.92 HSD11B1 (0.34) GCGRMAPTNPC1STAT3RAB9A
SCHEMBL2298208 0.90 TLR8 (0.34) MAPTNPC1STAT3RAB9AATM
SCHEMBL2300694 0.90 TLR8 (0.39) GCGRMAPTKDM4ETLR8
SCHEMBL2299677 0.90 ESR1 (0.38) MAPTNPC1STAT3RAB9AATM
SCHEMBL2297571 0.89 TLR8 (0.37) GCGRMAPTKDM4ESIRT2SIRT1
SCHEMBL2300044 0.89 AURKA (0.38) SMN1; SMN2TLR7PIM1PIM3PIM2
SCHEMBL2300092 0.89 NR1H2 (0.36) GCGRTLR7PGRPSEN1PSEN2
SCHEMBL2300163 0.89 SMN1; SMN2 (0.32) MAPTNPC1STAT3RAB9AATM
SCHEMBL2299443 0.88 TLR8 (0.38) GCGRMAPTPGRKDM4ETLR8
SCHEMBL2298814 0.88 KDM4E (0.42) GCGRMAPTKDM4ETLR8

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 4 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

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 GCGR 1346/4885MAPT 299/4885NPC1 4803/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 GCGR 1276/4885MAPT 424/4885NPC1 4798/4885

“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.