SCHEMBL4841784

SCHEMBL4841784

COc1ccc2c(-c3ccccc3OC)n[nH]c(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.54
PDE4B Q07343 2/20 0.53
PDE4A P27815 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ENPP1 P22413 1/20 0.50
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
AR P10275 2/20 0.47
ROCK1 Q13464 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
DYRK1A Q13627 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC4 P56524 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
SCHEMBL4833870 0.89 PDE4B (0.52) SCN9APDE4BPDE4APDE4CPDE4D
SCHEMBL4834773 0.89 ENPP1 (0.52) SCN9APDE4BPDE4APDE4CPDE4D
SCHEMBL15010041 0.86 PDE4A (0.52) SCN9APDE4BPDE4APDE4CPDE4D
SCHEMBL28466675 0.85 PDE4A (0.61) PDE4BPDE4APDE4CPDE4DGSK3A
SCHEMBL4843618 0.83 GSK3A (0.65) PDE4BPDE4APDE4CPDE4DENPP1
Hydrochloric Acid SCHEMBL29818665 0.83 PDE4A (0.59) PDE4BPDE4APDE4CPDE4DGSK3A
SCHEMBL4841775 0.81 GSK3A (0.62) PDE4BPDE4APDE4CPDE4DENPP1
SCHEMBL4124300 0.80 ENPP1 (0.66) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL4842001 0.80 PDE4A (0.73) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL4838570 0.80 ENPP1 (0.56) PDE4BPDE4APDE4CPDE4DENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423030-B2 1-amino-phthalazine derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2008-09-09 US disclosed
EP-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 EP disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 US disclosed
EP-1737840-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-03 EP disclosed
WO-2005103033-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-03 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-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 SCN9A 4026/4885PDE4B 1845/4885PDE4A 1615/4885

“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.