SCHEMBL7205264

SCHEMBL7205264

CC(=O)c1cc2cccc(Br)c2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA4 P43681 1/20 0.51
HDAC3 O15379 4/20 0.47
HDAC4 P56524 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC7 Q8WUI4 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37

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
SCHEMBL1091530 0.84 BCL2L1 (0.53) CHRNA1CHRNB2CHRNB4CHRNA4HDAC3
SCHEMBL13295842 0.83 CHRNA1 (0.48) CHRNA1CHRNB2CHRNB4CHRNA4HDAC3
SCHEMBL1091054 0.82 HPGD (0.54) CHRNA1CHRNB2CHRNB4CHRNA4HDAC3
SCHEMBL18851912 0.79 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18264002 0.79 KDM4E (0.60) CHRNA1CHRNB2CHRNB4CHRNA4HDAC3
SCHEMBL1853849 0.77 CLK1 (0.52) CHRNA1CHRNB2CHRNB4CHRNA4HDAC3
SCHEMBL11561435 0.76 MAPT (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16693083 0.75 HDAC1 (0.46) CHRNA1CHRNB2CHRNB4CHRNA4HDAC3
SCHEMBL18105640 0.75 DYRK1A (0.39) CHRNA1CHRNB2CHRNB4CHRNA4HDAC3
SCHEMBL15697482 0.72 SLC9A1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772511-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-08 US disclosed
US-20130060039-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS BAYER SCHERING PHARMA AG (DE) 2013-03-07 US disclosed
EP-1274706-A1 PYRAZOLES FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2003-01-15 EP disclosed
US-6462069-B2 KINASE INHIBITORS; ANTICANCER AGENTS AGOURON PHARMACEUTICALS, INC. 2002-10-08 US disclosed
WO-2001079198-A9 PYRAZOLES FOR INHIBITING PROTEIN KINASE AGOURON PHARMA (US) 2002-05-16 WO disclosed
US-20020006952-A1 Compounds, pharmaceutical compositions, and methods for inhibiting protein kinases LIGHPOINTE COMMUNICATION, INC. 2002-01-17 US disclosed
WO-2001079198-A1 PYRAZOLES FOR INHIBITING PROTEIN KINASE AGOURON PHARMACEUTICALS, INC. (US) 2001-10-25 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-20130060039-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS CHRNA7, CHRNA5, CHRNA4 CHRNA1 12/4885CHRNB2 16/4885CHRNB4 17/4885
US-20020006952-A1 Compounds, pharmaceutical compositions, and methods for inhibiting protein kinases CDK3, CCNK, CDK1 CHRNA1 4647/4885CHRNB2 4789/4885CHRNB4 4810/4885

“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.