SCHEMBL4996182

SCHEMBL4996182

COc1cccc(N2CCN(c3cncc(-c4ccc(CO)cc4)n3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 2/20 0.47
GFER P55789 1/20 0.47
DRD2 P14416 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BRAF P15056 1/20 0.45
LMNA P02545 1/20 0.45
FYN P06241 1/20 0.44
KCNH2 Q12809 1/20 0.44
DHFR P00374 2/20 0.43
RAD52 P43351 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
C1S P09871 1/20 0.42
TSHR P16473 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
SCHEMBL5000653 0.87 NPC1 (0.56) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL4992338 0.87 NPC1 (0.61) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL4993132 0.86 MAPT (0.55) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL4997603 0.85 NPC1 (0.59) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL4997035 0.85 BRAF (0.47) MAPTGFERSMN1; SMN2BRAFLMNA
SCHEMBL5003018 0.85 PIM2 (0.43) ALDH1A1GFERKCNH2RAD52PIM2
SCHEMBL4997711 0.84 SORD (0.47) ALDH1A1MAPTNPC1RAB9ADRD2
SCHEMBL4996313 0.84 NPC1 (0.53) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL4997668 0.84 NPC1 (0.58) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL4996158 0.83 CHEK1 (0.57) ALDH1A1MAPTNPC1RAB9ABRAF

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 ALDH1A1 1034/4885MAPT 5/4885NPC1 2008/4885

“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.