SCHEMBL407381

SCHEMBL407381

CCN(CC)c1cc2ccccc2oc1=O.O=c1oc2ccccc2cc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
MAOA P21397 3/20 0.50
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
ADAM17 P78536 1/20 0.46
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 3/20 0.44
PGR P06401 2/20 0.44
NR3C1 P04150 1/20 0.44
AR P10275 1/20 0.44
TYR P14679 1/20 0.44
DAO P14920 1/20 0.44
AKR1B1 P15121 1/20 0.44
KDM4E B2RXH2 4/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL145996 0.89 SMN1; SMN2 (0.51) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL3009674 0.84 HPGD (0.59) MAOBMAOANPC1RAB9ASMN1; SMN2
Thiourea SCHEMBL6715523 0.82 SMN1; SMN2 (0.46) MAOBMAOANPC1RAB9ASMN1; SMN2
Iodoacetamide SCHEMBL2218893 0.81 SMN1; SMN2 (0.48) MAOBMAOANPC1RAB9ASMN1; SMN2
Acetic Acid SCHEMBL28312963 0.80 MAOB (0.58) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL3933571 0.77 PGR (0.47) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL13041713 0.77 CYP19A1 (0.69) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1619109 0.76 MAOB (0.67) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL30594160 0.76 MAOB (0.67) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL30241252 0.75 MAOB (0.54) MAOBMAOANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
WO-2006056487-A2 PEPTIDES USEFUL AS DUAL CASPASE-2/-6 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS THERAPTOSIS S.A. (FR) 2006-06-01 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 MAOB 4622/4885MAOA 4720/4885NPC1 4148/4885
US-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications CASP1, CASP2, CASP9 MAOB 3906/4885MAOA 4454/4885NPC1 2570/4885
US-20120021990-A1 PEPTIDES USEFUL AS DUAL CASPASE-2/-6 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS CASP6, CASP2, CASP1 MAOB 3892/4885MAOA 4333/4885NPC1 3906/4885

“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.