SCHEMBL409414

SCHEMBL409414

O=[C]C(C=O)c1cnc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
PDGFRB P09619 3/20 0.41
PDGFRA P16234 3/20 0.41
MGAM O43451 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 1/20 0.40
NQO1 P15559 1/20 0.40
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACP1 P24666 1/20 0.36
CYP2A6 P11509 1/20 0.36
KDR P35968 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL27720626 0.78 CYP1A2 (0.49) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL529903 0.78 CYP1A2 (0.44) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL12505007 0.76 PDGFRB (0.46) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL1994037 0.74 CYP1A2 (0.45) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL6848110 0.74 CYP1A2 (0.41) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL15194838 0.72 NQO1 (0.43) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL5462379 0.71 CYP1A2 (0.44) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL9373270 0.71 CYP1A2 (0.45) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL530808 0.71 CYP1A2 (0.45) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL27046185 0.71 CYP1A2 (0.45) CYP1A2PDGFRBPDGFRAMGAMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1370148-A Process for the preparation of quinoline-substituted carbonate and carbamate derivatives ABBOTT LAB (US) 2002-09-18 CN 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-20120021990-A1 PEPTIDES USEFUL AS DUAL CASPASE-2/-6 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS CHAUVIER DAVID (FR) 2012-01-26 US 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 CYP1A2 2148/4885PDGFRB 4286/4885PDGFRA 4451/4885
US-20120021990-A1 PEPTIDES USEFUL AS DUAL CASPASE-2/-6 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS CASP6, CASP2, CASP1 CYP1A2 4555/4885PDGFRB 2958/4885PDGFRA 3664/4885

“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.