SCHEMBL5000665

SCHEMBL5000665

COc1cccc(-c2cncc(N3CCN(c4ccc(OC)c(OC)c4)CC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
RAD52 P43351 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NTSR1 P30989 1/20 0.43
PIM2 Q9P1W9 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
DPP4 P27487 1/20 0.43
FYN P06241 1/20 0.43
C1S P09871 1/20 0.43
HTR7 P34969 1/20 0.43
DRD4 P21917 2/20 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
SCHEMBL4997603 0.91 NPC1 (0.59) NPC1ALDH1A1RAB9AMAPTRAD52
SCHEMBL4996131 0.89 FYN (0.43) NPC1ALDH1A1RAB9AMAPTPOLB
SCHEMBL4987417 0.89 RAD52 (0.45) NPC1ALDH1A1RAB9AMAPTRAD52
SCHEMBL4996925 0.89 MAPT (0.53) NPC1ALDH1A1RAB9AMAPTRAD52
SCHEMBL5000876 0.87 ALDH1A1 (0.43) NPC1ALDH1A1RAB9AMAPTRAD52
SCHEMBL4991471 0.86 CYP1A2 (0.57) NPC1ALDH1A1RAB9AMAPTRAD52
SCHEMBL4997579 0.86 MAPT (0.48) NPC1ALDH1A1RAB9AMAPTRAD52
SCHEMBL5000655 0.85 BRAF (0.50) ALDH1A1MAPTRAD52POLBPIM2
SCHEMBL4996238 0.85 NPC1 (0.50) NPC1ALDH1A1RAB9AMAPTRAD52
SCHEMBL4992338 0.85 NPC1 (0.61) NPC1ALDH1A1RAB9AMAPTRAD52

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US 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 (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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C NPC1 2008/4885ALDH1A1 1034/4885RAB9A 2969/4885

“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.