SCHEMBL404595

SCHEMBL404595

O=[C]C([C]=O)c1ccc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.42
CYP1A2 P05177 3/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 4/20 0.41
MGAM O43451 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
AR P10275 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 3/20 0.39
PKM P14618 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 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
SCHEMBL26512422 0.80 NCF1 (0.42) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL9009627 0.76 NCF1 (0.50) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL3267344 0.73 NCF1 (0.43) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL1261380 0.73 CYP1A2 (0.48) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL2557489 0.73 NCF1 (0.43) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL4300128 0.73 ALDH1A1 (0.40) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL30106721 0.72 NCF1 (0.46) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL827081 0.72 CYP1A2 (0.52) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL10020390 0.72 ALDH1A1 (0.53) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL27568530 0.72 NCF1 (0.52) NCF1CYP1A2NOS2BACE1CA12

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-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-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
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 (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-20090042805-A1 Peptides Useful As Dual Caspase-2/-6 Inhibitors And Their Biological Applications CASP6, CASP2, CASP4 NCF1 3006/4885CYP1A2 2148/4885NOS2 333/4885
US-20120021990-A1 PEPTIDES USEFUL AS DUAL CASPASE-2/-6 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS CASP6, CASP2, CASP1 NCF1 1135/4885CYP1A2 4555/4885NOS2 1973/4885

“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.