SCHEMBL6112937

SCHEMBL6112937

O=C(CBr)c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.47
GSK3B P49841 8/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMYD3 Q9H7B4 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
PARP1 P09874 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.41
BCL6 P41182 1/20 0.40
BCOR Q6W2J9 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
SCHEMBL13062695 0.84 MEN1 (0.47) MEN1KMT2ASMYD3SIRT2SIRT1
SCHEMBL6766834 0.82 MAPT (0.46) MEN1KMT2ASMYD3SIRT2SIRT1
SCHEMBL4194809 0.82 ALDH1A1 (0.58) GSK3BMEN1KMT2ASMYD3SIRT2
Hydrochloric Acid SCHEMBL7034749 0.81 GAA (0.54) GSK3BMEN1KMT2ASMYD3SIRT2
SCHEMBL6763737 0.79 MAPT (0.50) MEN1KMT2ASMYD3SIRT2SIRT1
SCHEMBL8543066 0.79 KDM4E (0.44) MEN1KMT2ASMYD3SIRT2SIRT1
SCHEMBL1095502 0.77 SIRT2 (0.69) MEN1KMT2ASMYD3SIRT2SIRT1
SCHEMBL1827517 0.77 PDE4B (0.46) MEN1KMT2ASMYD3SIRT2SIRT1
SCHEMBL12658564 0.76 MEN1 (0.41) MEN1KMT2ASMYD3SIRT2SIRT1
SCHEMBL4192637 0.76 ALDH1A1 (0.51) MEN1KMT2ASMYD3SIRT2SIRT1

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-20120129872-A1 FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129872-A1 FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068204-A1 FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO 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-20120129872-A1 FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP3, TIMP3, MMP9 PTPN1 3153/4885GSK3B 3002/4885MEN1 2222/4885

“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.