SCHEMBL20150273

SCHEMBL20150273

O=[N+]([O-])c1ccc(OC2CCOCC2)c(Br)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 0.38
BCL6 P41182 3/20 0.37
BCOR Q6W2J9 3/20 0.37
SYK P43405 1/20 0.36
KAT2B Q92831 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
VEGFA P15692 1/20 0.36
POLB P06746 2/20 0.35
PDE4D Q08499 7/20 0.34
PDE4A P27815 5/20 0.34
PDE4B Q07343 5/20 0.34
PDE4C Q08493 5/20 0.34
SCD O00767 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
SCHEMBL29246338 0.75 BCL6 (0.45) BCL6BCORSYKKAT2BBAZ2B
SCHEMBL31508019 0.73 GPR119 (0.37) SCD
SCHEMBL2031745 0.71 MEN1 (0.46) POLB
SCHEMBL31383842 0.71 KAT2B (0.43) BCL6BCORSYKKAT2BBAZ2B
SCHEMBL3805044 0.71 SCD (0.53) BCL6BCORKAT2BBAZ2BSCD
SCHEMBL1611708 0.69 BCL6 (0.45) BCL6BCORSYKKAT2BBAZ2B
SCHEMBL19174929 0.69 BCL6 (0.50) BCL6BCORSYK
SCHEMBL4161984 0.68 ALDH1A1 (0.40)
SCHEMBL16751204 0.68 BCL6 (0.44) TXNRD1BCL6BCORPOLB
SCHEMBL18691116 0.68 KAT2B (0.39) TXNRD1BCL6BCORSYKKAT2B

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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TXNRD1 1946/4885BCL6 1608/4885BCOR 2080/4885

“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.