SCHEMBL6101769

SCHEMBL6101769

O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
GRM5 P41594 2/20 0.36
FEN1 P39748 1/20 0.36
KMT2A Q03164 2/20 0.36
GSK3B P49841 1/20 0.35
PPARG P37231 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
CYP2A13 Q16696 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
CYP1B1 Q16678 1/20 0.34
NPC1 O15118 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
SCHEMBL6102404 0.83 LMNA (0.46) TYRGRM5KMT2AALDH1A1LMNA
SCHEMBL6099416 0.81 HTT (0.44) CA12KMT2AKDM4EALDH1A1LMNA
SCHEMBL5768580 0.80 MEN1 (0.55) KMT2AKDM4EALDH1A1MEN1PKM
SCHEMBL6101025 0.77 CHRM5 (0.46) KMT2AMEN1CYP1A2
SCHEMBL6102631 0.77 CHRM5 (0.41) TYRCA12CA2PKMCYP1A2
SCHEMBL5797066 0.76 GRM5 (0.39) GRM5
SCHEMBL5767865 0.76 KCNN4 (0.46) CA12CA2FEN1KMT2AKDM4E
SCHEMBL6100414 0.75 MGLL (0.45) CA12CA2KMT2AGSK3BKDM4E
SCHEMBL6101670 0.75 KDM4E (0.42) CA12CA2KMT2AKDM4EALDH1A1
SCHEMBL5793964 0.75 FAAH (0.49) CA12CA2KMT2AKDM4EALDH1A1

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-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 TYR 4794/4885CA12 4585/4885CA2 3972/4885

“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.