SCHEMBL4295434

SCHEMBL4295434

COc1ccc(Cn2ccc(Cl)cc2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
TP53 P04637 2/20 0.62
LMNA P02545 1/20 0.54
CMA1 P23946 1/20 0.51
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
HDAC8 Q9BY41 3/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
KCNA3 P22001 1/20 0.46
MAPK14 Q16539 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL32665079 0.83 MAPT (0.52) MAPTTP53LMNACMA1GSK3A
SCHEMBL17963973 0.83 MAPT (0.52) MAPTTP53LMNACMA1GSK3A
SCHEMBL4295479 0.81 MAPT (0.50) MAPTTP53LMNACMA1GSK3A
SCHEMBL28418647 0.79 CA1 (0.56) MAPTTP53LMNACMA1GSK3A
SCHEMBL4474931 0.79 MAPK14 (0.57) MAPTTP53LMNACMA1MAPK14
SCHEMBL29348749 0.77 MAPK14 (0.51) MAPTTP53LMNACMA1GSK3A
SCHEMBL2178268 0.76 MAPK14 (0.82) MAPTTP53LMNAMAPK14
SCHEMBL17392844 0.76 MAPK14 (0.70) MAPTTP53LMNACMA1MAPK14
SCHEMBL17993127 0.76 MAPT (0.45) MAPTTP53LMNACMA1GSK3A
SCHEMBL19665355 0.75 CMA1 (0.51) MAPTTP53LMNACMA1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090246198-A1 MAPK/ERK KINASE INHIBITORS AND METHODS OF USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US claimed
WO-2009146034-A2 MAPK/ERK KINASE INHIBITORS AND METHODS OF USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-03 WO disclosed
US-20090246198-A1 MAPK/ERK KINASE INHIBITORS AND METHODS OF USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
US-20090246198-A1 MAPK/ERK KINASE INHIBITORS AND METHODS OF USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 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-20090246198-A1 MAPK/ERK KINASE INHIBITORS AND METHODS OF USE THEREOF MAPK1, MAP3K1, MAP3K7 MAPT 2128/4885TP53 705/4885LMNA 2723/4885

“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.