SCHEMBL13558790

SCHEMBL13558790

CCCCNC(=O)NCc1ccc(CN2C(=N)NC(CCCC)(c3cncc(Br)c3)CC2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.39
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NAMPT P43490 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
GAS6 Q14393 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL13558788 0.81 BACE1 (0.48) BACE1RXFP1
SCHEMBL7512910 0.78 BACE1 (0.43) BACE1NPC1RAB9ANAMPTSMN1; SMN2
SCHEMBL14643204 0.75 HDAC6 (0.40) BACE1NPC1RAB9ASMN1; SMN2RXFP1
SCHEMBL13558819 0.72 BACE1 (0.41) BACE1NAMPTUSP2
SCHEMBL7526815 0.69 BACE1 (0.46) BACE1USP2
SCHEMBL7518509 0.68 HDAC6 (0.47) BACE1RXFP1
SCHEMBL7510083 0.68 BACE1 (0.50) BACE1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL7536228 0.67 BACE1 (0.44) BACE1NAMPTPOLB
SCHEMBL7526737 0.67 BACE1 (0.49) BACE1NPC1RAB9ANAMPTHTT
SCHEMBL7514490 0.66 BACE1 (0.50) BACE1NAMPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 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-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D BACE1 1/4885NPC1 649/4885RAB9A 3578/4885

“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.