SCHEMBL5000876

SCHEMBL5000876

COc1ccc(N2CCN(c3cncc(-c4ccc5ccccc5c4)n3)CC2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HTR7 P34969 2/20 0.43
MAP4K1 Q92918 1/20 0.43
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAC1 P63000 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HTR3A P46098 1/20 0.41
RAD52 P43351 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL4996131 0.91 FYN (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MAP4K1
SCHEMBL4995371 0.87 HTR7 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5000665 0.87 NPC1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4997668 0.87 NPC1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4994280 0.85 MAP4K1 (0.45) ALDH1A1SMN1; SMN2KDM4EHTR7MAP4K1
SCHEMBL4987417 0.85 RAD52 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5000621 0.85 MAP4K1 (0.43) ALDH1A1SMN1; SMN2KDM4EHTR7MAP4K1
SCHEMBL4997627 0.84 NPC1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5000890 0.84 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5003394 0.83 HTR3A (0.44) NPC1HTR3ARAD52DRD4CSNK1D

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 1034/4885NPC1 2008/4885RAB9A 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.