SCHEMBL1847657

SCHEMBL1847657

COC(=O)Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 2/20 0.46
PPARD Q03181 2/20 0.44
HSP90AB1 P08238 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ACP1 P24666 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 2/20 0.42
MITF O75030 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL1841633 0.95 L3MBTL1 (0.54) ADORA3SMN1; SMN2L3MBTL1TP53LMNA
SCHEMBL1845846 0.95 ADORA3 (0.46) ADORA3SMN1; SMN2L3MBTL1TP53LMNA
SCHEMBL1843439 0.91 LMNA (0.47) ADORA3SMN1; SMN2L3MBTL1TP53LMNA
SCHEMBL2494117 0.85 HDAC1 (0.50) ADORA3LMNASYKPSEN1PSEN2
SCHEMBL5444853 0.84 PPARD (0.54) LMNAPPARDHSP90AB1PSEN1PSEN2
SCHEMBL14477117 0.82 CYP4F2 (0.53) SMN1; SMN2LMNAPSEN1PSEN2APH1B
SCHEMBL1844250 0.82 ADORA3 (0.38) ADORA3SMN1; SMN2L3MBTL1TP53LMNA
SCHEMBL1844696 0.81 PTGES (0.39) ADORA3SMN1; SMN2L3MBTL1TP53LMNA
SCHEMBL841124 0.80 CYP4F2 (0.58) SMN1; SMN2TP53LMNAHSP90AB1ALDH1A1
SCHEMBL12703212 0.80 PPARD (0.47) LMNAPPARDHSP90AB1PSEN1PSEN2

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-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
US-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
US-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
EP-2321278-A2 PYRIDINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2011-05-18 EP disclosed
WO-2010011626-A2 PYRIDINYL MODULATORS OF ϒ-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 WO disclosed
WO-2010011626-A2 PYRIDINYL MODULATORS OF ϒ-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 WO disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 US disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 US disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 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 (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-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE BACE1, PSEN1, BACE2 ADORA3 126/4885SMN1; SMN2 2300/4885L3MBTL1 2189/4885

“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.