SCHEMBL5000800

SCHEMBL5000800

Clc1ccc(-c2cncc(-c3ccco3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 4/20 0.50
HSD17B10 Q99714 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADORA2A P29274 2/20 0.48
ADORA1 P30542 1/20 0.48
PTGS1 P23219 1/20 0.43
ESR1 P03372 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
NOTUM Q6P988 1/20 0.42
MYC P01106 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
SCHEMBL3163523 0.84 ALDH1A1 (0.54) SMN1; SMN2MAPTHSD17B10NPC1RAB9A
SCHEMBL3272823 0.80 ALDH1A1 (0.45) CASP3SMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL4996724 0.77 NPC1 (0.47) SMN1; SMN2MAPTHSD17B10NPC1RAB9A
SCHEMBL1478175 0.74 TAAR1 (0.61) CASP3SMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL1219262 0.74 KDM4E (0.62) CASP3SMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL4140166 0.73 ALDH1A1 (0.45) SMN1; SMN2MAPTHSD17B10NPC1RAB9A
SCHEMBL30562824 0.73 PDE10A (0.46) SMN1; SMN2MAPTHSD17B10NPC1RAB9A
SCHEMBL3533444 0.73 PDE10A (0.46) SMN1; SMN2MAPTHSD17B10NPC1RAB9A
SCHEMBL3063935 0.73 MAPT (0.53) SMN1; SMN2MAPTHSD17B10NPC1RAB9A
SCHEMBL2133755 0.71 CYP11B2 (0.51) SMN1; SMN2MAPTNPC1RAB9AKDM4E

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 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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C CASP3 402/4885SMN1; SMN2 896/4885MAPT 5/4885

“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.