SCHEMBL403940

SCHEMBL403940

N=Nc1cc2c(cc1N=N)C(N=N)c1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
GPR3 P46089 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL6550865 0.82 GPR3 (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL70001 0.64 GPR3 (0.44) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL25434268 0.62
SCHEMBL13185884 0.61 GPR3 (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL8458737 0.61 GPR3 (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL27742167 0.59 CASP3 (0.48) HDAC4HDAC8HDAC6
SCHEMBL68634 0.58 GPR3 (0.38) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL19417387 0.58 NPC1 (0.38)
SCHEMBL221399 0.57 GPR3 (0.46) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL3837050 0.56 GPR3 (0.37) HDAC3HDAC4HDAC7HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications THERAPTOSIS SA (FR) 2008-12-18 US claimed
EP-1740614-A2 CASPASE-2 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS Theraptosis S.A. (FR) 2007-01-10 EP claimed
WO-2005105829-A2 CASPASE-2 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS THERAPTOSIS S.A. (FR) 2005-11-10 WO claimed
US-8324173-B2 Peptides useful as dual caspase-2/-6 inhibitors and their biological applications CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-04 US disclosed
US-8173600-B2 Caspase-2 inhibitors and their biological applications CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-08 US disclosed
US-20120021990-A1 PEPTIDES USEFUL AS DUAL CASPASE-2/-6 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS CHAUVIER DAVID (FR) 2012-01-26 US disclosed
CN-101052651-B Caspase-2 inhibitors and their biological applications THERAPTOSIS S A 2011-05-25 CN disclosed
WO-2009083930-A1 CASPASE-8 INHIBITORS AND USES THEREOF THERAPTOSIS (FR) 2009-07-09 WO disclosed
WO-2009083929-A1 CASPASE-1 INHIBITORS AND USES THEREOF THERAPTOSIS (FR) 2009-07-09 WO disclosed
US-20090042805-A1 Peptides Useful As Dual Caspase-2/-6 Inhibitors And Their Biological Applications CHIESI FARMACEUTICI S.P.A. (IT) 2009-02-12 US disclosed
US-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications THERAPTOSIS SA (FR) 2008-12-18 US disclosed
CN-101052651-A Caspase-2 inhibitors and their biological applications THERAPTOSIS S A (FR) 2007-10-10 CN disclosed
EP-1817328-A2 NEW PEPTIDES USEFUL AS DUAL CASPASE-2/-6 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS Theraptosis S.A. (FR) 2007-08-15 EP disclosed
EP-1740614-A2 CASPASE-2 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS Theraptosis S.A. (FR) 2007-01-10 EP disclosed
WO-2006056487-A2 PEPTIDES USEFUL AS DUAL CASPASE-2/-6 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS THERAPTOSIS S.A. (FR) 2006-06-01 WO disclosed
WO-2005105829-A2 CASPASE-2 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS THERAPTOSIS S.A. (FR) 2005-11-10 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 (3 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-20090042805-A1 Peptides Useful As Dual Caspase-2/-6 Inhibitors And Their Biological Applications CASP6, CASP2, CASP4 HDAC3 1605/4885HDAC4 756/4885HDAC7 899/4885
US-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications CASP1, CASP2, CASP9 HDAC3 1256/4885HDAC4 1143/4885HDAC7 1272/4885
US-20120021990-A1 PEPTIDES USEFUL AS DUAL CASPASE-2/-6 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS CASP6, CASP2, CASP1 HDAC3 1989/4885HDAC4 2050/4885HDAC7 1254/4885

“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.