SCHEMBL1075338

SCHEMBL1075338

O=C(Nc1ncc(CN2CCOCC2)s1)c1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 5/20 0.46
OGA O60502 2/20 0.44
PIM1 P11309 2/20 0.42
SCD O00767 3/20 0.42
ABL1 P00519 2/20 0.41
KCNH2 Q12809 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
BCR P11274 1/20 0.40
POLQ O75417 1/20 0.40
DYRK1A Q13627 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1075405 0.89 SCD (0.48) WNT3ASCDABL1LMNASMN1; SMN2
SCHEMBL1076300 0.87 ALK (0.45) WNT3APIM1ABL1KCNH2BCR
SCHEMBL1076683 0.85 ROCK2 (0.48) OGAABL1BCRDYRK1ALMNA
SCHEMBL12753222 0.85 OGA (0.44) WNT3AOGAPIM1SCDABL1
SCHEMBL1035299 0.82 SMN1; SMN2 (0.43) OGASCDABL1LMNASMN1; SMN2
SCHEMBL1034576 0.81 SMN1; SMN2 (0.43) OGAPSEN1PSEN2APH1BNCSTN
SCHEMBL1032315 0.79 MPL (0.42) POLQLMNASMN1; SMN2
SCHEMBL1034347 0.78 SMN1; SMN2 (0.47) OGADYRK1ASMN1; SMN2
SCHEMBL1032586 0.77 SIRT2 (0.51) POLQLMNASMN1; SMN2
SCHEMBL1033536 0.75 ALK (0.51) KCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 WNT3A 2776/4885OGA 1235/4885PIM1 4218/4885

“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.