SCHEMBL16787644

SCHEMBL16787644

O=C(Br)c1cccc(C(=O)CBr)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.59
PTPN1 P18031 7/20 0.59
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL9409741 0.91 GSK3B (0.70) GSK3BPTPN1ATMTDP1L3MBTL1
SCHEMBL689178 0.84 ATM (0.52) ATMTDP1L3MBTL1
SCHEMBL1447797 0.83 GSK3B (0.65) GSK3BPTPN1
SCHEMBL18380618 0.82 GSK3B (0.57) GSK3BPTPN1TDP1
SCHEMBL2798050 0.82 GSK3B (0.57) GSK3BPTPN1TDP1L3MBTL1
SCHEMBL684561 0.80 GSK3B (0.55) GSK3BPTPN1
SCHEMBL27588759 0.80 GSK3B (0.55) GSK3BPTPN1
SCHEMBL316026 0.79 GSK3B (0.59) GSK3BPTPN1L3MBTL1
SCHEMBL1361623 0.79 GSK3B (0.59) GSK3BPTPN1
SCHEMBL30517873 0.79 GSK3B (0.59) GSK3BPTPN1

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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 GSK3B 4564/4885PTPN1 181/4885ATM 1998/4885

“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.