SCHEMBL5714189

SCHEMBL5714189

Cc1noc(C)c1-c1cccc([C]2CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.61
BRD2 P25440 6/20 0.61
CREBBP Q92793 4/20 0.57
BRD3 Q15059 2/20 0.53
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
MAP4K4 O95819 1/20 0.47
USP30 Q70CQ3 1/20 0.46
ERN1 O75460 1/20 0.46

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
SCHEMBL12487 0.81 NPC1 (0.69) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL5714196 0.81 BRD4 (0.57) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL16404612 0.78 BRD4 (0.62) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL16246450 0.78 BRD4 (0.62) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL980536 0.78 MAP4K4 (0.76) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL9657290 0.78 BRD4 (0.62) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL19754248 0.78 BRD4 (0.67) BRD4BRD2CREBBPBRD3NPC1
Hydrochloric Acid SCHEMBL1016039 0.77 MAP4K4 (0.73) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL19754238 0.76 BRD4 (0.65) BRD4BRD2CREBBPBRD3NPC1
3,5-Dimethyl-4-Phenylisoxazole SCHEMBL12134072 0.76 BRD4 (1.00) BRD4BRD2CREBBP

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
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP claimed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 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-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 BRD4 1715/4885BRD2 2365/4885CREBBP 1328/4885

“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.