SCHEMBL6414739

SCHEMBL6414739

NN=C(c1cc(Br)cc(Br)c1O)c1nc2nonc2nc1Nc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
TP53 P04637 4/20 0.40
POLB P06746 1/20 0.40
PNLIP P16233 1/20 0.35
PRSS12 P56730 1/20 0.35
HSPD1 P10809 3/20 0.34
HSPE1 P61604 3/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HTT P42858 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
CYP1A2 P05177 1/20 0.33
LCK P06239 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTGS1 P23219 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6414730 1.00 MAPT (0.40) MAPTSMN1; SMN2TP53POLBPNLIP
SCHEMBL6419624 0.90 MAPT (0.41) MAPTSMN1; SMN2TP53POLBHSPD1
SCHEMBL6419630 0.90 MAPT (0.41) MAPTSMN1; SMN2TP53POLBHSPD1
SCHEMBL6432681 0.90 HSPD1 (0.40) MAPTSMN1; SMN2TP53POLBHSPD1
SCHEMBL6432676 0.90 HSPD1 (0.40) MAPTSMN1; SMN2TP53POLBHSPD1
SCHEMBL6412904 0.90 IDO1 (0.35) MAPTSMN1; SMN2TP53POLBPNLIP
SCHEMBL6415087 0.90 HSPD1 (0.45) MAPTSMN1; SMN2TP53POLBHSPD1
SCHEMBL6415078 0.90 HSPD1 (0.45) MAPTSMN1; SMN2TP53POLBHSPD1
SCHEMBL6508198 0.85 PSD (0.35) MAPTSMN1; SMN2TP53POLBMEN1
SCHEMBL6431731 0.85 PSD (0.35) MAPTSMN1; SMN2TP53POLBMEN1

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 2 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
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 MAPT 4420/4885SMN1; SMN2 4369/4885TP53 4485/4885

“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.