SCHEMBL6533377

SCHEMBL6533377

COc1ccn2c(C(=O)CBr)c(C)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 4/20 0.44
KDM4E B2RXH2 3/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.41
GSK3B P49841 1/20 0.41
METTL3 Q86U44 1/20 0.41
KMT2A Q03164 4/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL21893931 0.83 MAPT (0.45) POLBSMN1; SMN2LMNAHTTKDM4E
SCHEMBL4538242 0.83 KMT2A (0.57) POLBSMN1; SMN2LMNAHTTKDM4E
SCHEMBL6113039 0.83 POLB (0.64) POLBSMN1; SMN2LMNAHTTKDM4E
SCHEMBL4803580 0.82 MAPK1 (0.64) POLBSMN1; SMN2LMNAHTTKDM4E
Potassium Ion SCHEMBL21818401 0.81 MAPT (0.44) POLBSMN1; SMN2LMNAHTTKDM4E
SCHEMBL21894010 0.78 KDM4E (0.54) POLBSMN1; SMN2LMNAHTTKDM4E
SCHEMBL24656748 0.77 MAPK1 (0.51) SMN1; SMN2LMNAHTTKDM4EPKM
SCHEMBL19723527 0.77 LMNA (0.50) SMN1; SMN2LMNAHTTKDM4EPKM
SCHEMBL197826 0.76 KMT2A (0.68) SMN1; SMN2LMNAHTTKDM4EMAPT
SCHEMBL19723661 0.76 MAPT (0.47) POLBSMN1; SMN2LMNAHTTKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-03-03 US disclosed
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-03-03 US disclosed
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-03-03 US disclosed
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. 2009-01-01 US disclosed
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. 2009-01-01 US disclosed
WO-2009002534-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2008-12-31 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 (2 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-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 POLB 289/4885SMN1; SMN2 2119/4885LMNA 1476/4885
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 POLB 289/4885SMN1; SMN2 2119/4885LMNA 1476/4885

“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.