SCHEMBL3434005

SCHEMBL3434005

CCO/C=C\c1c2c(C(=O)OC)cc(F)cc2nn1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
PDE4B Q07343 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
TP53 P04637 4/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL3434006 1.00 POLB (0.38) POLBPDE4BTRPV3TP53LMNA
SCHEMBL6523422 0.85 POLB (0.42) POLBPDE4BTRPV3TP53LMNA
SCHEMBL6517975 0.85 POLB (0.40) POLBPDE4BTRPV3TP53LMNA
SCHEMBL6519249 0.78 PDE4B (0.42) POLBPDE4BTRPV3TP53LMNA
SCHEMBL3414060 0.76 MAPT (0.48) PDE4BTP53LMNASMN1; SMN2MAPT
SCHEMBL31386180 0.71 PDE4B (0.52) PDE4BTRPV3MEN1ALDH1A1KMT2A
SCHEMBL6524011 0.70 MAPT (0.48) PDE4BTP53LMNAKMT2ASMN1; SMN2
SCHEMBL22810473 0.70 PDE4B (0.52) POLBPDE4BTRPV3MEN1ALDH1A1
SCHEMBL31386029 0.69 PDE4B (0.53) PDE4BMEN1ALDH1A1KMT2ASCN9A
SCHEMBL31385927 0.68 PDE4B (0.50) PDE4BTRPV3MAPTSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362030-B2 Tricyclic derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-01-29 US disclosed
US-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2011-03-03 US disclosed
EP-2265611-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-12-29 EP disclosed
WO-2009112832-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-09-17 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 (1 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-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP11 POLB 29/4885PDE4B 4172/4885TRPV3 3130/4885

“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.