SCHEMBL6415087

SCHEMBL6415087

NN=C(c1cc(Br)cc(Br)c1O)c1nc2nonc2nc1Nc1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 2/20 0.45
HSPE1 P61604 2/20 0.45
MAPT P10636 4/20 0.38
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.38
FADS1 O60427 3/20 0.36
NPC1 O15118 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PRNP P04156 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.34
CCR2 P41597 1/20 0.34

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
SCHEMBL6415078 1.00 HSPD1 (0.45) HSPD1HSPE1MAPTTP53SMN1; SMN2
SCHEMBL6414739 0.90 MAPT (0.40) HSPD1HSPE1MAPTTP53SMN1; SMN2
SCHEMBL6414730 0.90 MAPT (0.40) HSPD1HSPE1MAPTTP53SMN1; SMN2
SCHEMBL6432676 0.89 HSPD1 (0.40) HSPD1HSPE1MAPTTP53SMN1; SMN2
SCHEMBL6432681 0.89 HSPD1 (0.40) HSPD1HSPE1MAPTTP53SMN1; SMN2
SCHEMBL6416375 0.89 TP53 (0.38) HSPD1HSPE1MAPTTP53SMN1; SMN2
SCHEMBL6416050 0.89 TNF (0.38) HSPD1HSPE1MAPTTP53SMN1; SMN2
SCHEMBL6412904 0.87 IDO1 (0.35) MAPTTP53SMN1; SMN2POLBHTT
SCHEMBL6419630 0.84 MAPT (0.41) HSPD1HSPE1MAPTTP53SMN1; SMN2
SCHEMBL6419624 0.84 MAPT (0.41) HSPD1HSPE1MAPTTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds 4SC AG (DE) 2005-06-30 US disclosed
WO-2005044270-A1 OXADIAZOLOPYRAZINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS 4SC AG (DE) 2005-05-19 WO disclosed
EP-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 EP 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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds NR5A2, NR1H2, NR2C2 HSPD1 4290/4885HSPE1 4611/4885MAPT 4420/4885

“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.