SCHEMBL4101252

SCHEMBL4101252

O=C1NC(=O)c2c(-c3ccccc3O)ccc3cccc1c23

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.56
CHEK1 O14757 3/20 0.43
WEE1 P30291 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
KDR P35968 1/20 0.41
GSK3B P49841 1/20 0.41
EGFR P00533 1/20 0.41
PRKCA P17252 1/20 0.41
POLB P06746 2/20 0.41
CASP7 P55210 2/20 0.41
MEN1 O00255 1/20 0.41
RGS12 O14924 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
APEX1 P27695 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL1756367 0.84 PARP1 (0.63) PARP1NPSR1GSK3BEGFRPRKCA
SCHEMBL789453 0.83 PARP1 (0.61) PARP1CHEK1NPSR1GSK3BEGFR
SCHEMBL9051184 0.82 GSK3B (0.52) PARP1CHEK1WEE1KDRGSK3B
SCHEMBL4113021 0.82 PARP1 (0.56) PARP1CHEK1WEE1NPSR1GSK3B
SCHEMBL28206411 0.81 PARP1 (0.59) PARP1CHEK1WEE1NPSR1GSK3B
SCHEMBL29586402 0.81 PARP1 (0.59) PARP1CHEK1WEE1NPSR1GSK3B
SCHEMBL30730457 0.81 PARP1 (0.59) PARP1CHEK1WEE1NPSR1GSK3B
SCHEMBL29586342 0.81 PARP1 (0.54) PARP1CHEK1WEE1NPSR1PRKCA
SCHEMBL29050232 0.79 PARP1 (0.49) PARP1CHEK1WEE1NPSR1GSK3B
Phosphoric Acid SCHEMBL7430846 0.79 PARP1 (0.56) PARP1CHEK1NPSR1GSK3BEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215815-A1 Neurotrophin antagonist compositions PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-27 US claimed
EP-0930883-B1 NEUROTROPHIN ANTAGONISTS FOR THE TREATMENT OF EPILEPSY, ALZHEIMER'S DISEASE AND PAIN ALLELIX BIOPHARMA (CA) 2006-01-11 EP claimed
US-20050250807-A1 Neurotrophin antagonist compositions TEHIM ASHOK 2005-11-10 US claimed
US-20020169182-A1 Neurotrophin antagonist compositions ALLELIX BIOPHARMACEUTICALS INC. (CA) 2002-11-14 US claimed
EP-0930883-A1 NEUROTROPHIN ANTAGONIST COMPOSITIONS Allelix Biopharmaceuticals Inc. (CA) 1999-07-28 EP claimed
WO-1998017278-A1 NEUROTROPHIN ANTAGONIST COMPOSITIONS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1998-04-30 WO claimed
US-20090215815-A1 Neurotrophin antagonist compositions PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-27 US disclosed
US-20080287484-A1 Neurotrophin antagonist compositions TEHIM ASHOK 2008-11-20 US disclosed
US-7291629-B2 Neurotrophin antagonist compositions PAINCEPTOR PHARMA CORPORATION (CA) 2007-11-06 US disclosed
EP-0930883-B1 NEUROTROPHIN ANTAGONISTS FOR THE TREATMENT OF EPILEPSY, ALZHEIMER'S DISEASE AND PAIN ALLELIX BIOPHARMA (CA) 2006-01-11 EP disclosed
US-20050250807-A1 Neurotrophin antagonist compositions TEHIM ASHOK 2005-11-10 US disclosed
US-20020169182-A1 Neurotrophin antagonist compositions ALLELIX BIOPHARMACEUTICALS INC. (CA) 2002-11-14 US disclosed
EP-0930883-A1 NEUROTROPHIN ANTAGONIST COMPOSITIONS Allelix Biopharmaceuticals Inc. (CA) 1999-07-28 EP disclosed
WO-1998017278-A1 NEUROTROPHIN ANTAGONIST COMPOSITIONS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1998-04-30 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 (4 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-20090215815-A1 Neurotrophin antagonist compositions NGF, NTRK2, BDNF PARP1 3976/4885CHEK1 3467/4885WEE1 2202/4885
US-20050250807-A1 Neurotrophin antagonist compositions NGF, NTRK2, BDNF PARP1 4027/4885CHEK1 3262/4885WEE1 2982/4885
US-20020169182-A1 Neurotrophin antagonist compositions NTRK2, NGF, BDNF PARP1 4325/4885CHEK1 4005/4885WEE1 4021/4885
US-20080287484-A1 Neurotrophin antagonist compositions NGF, NTRK2, BDNF PARP1 4114/4885CHEK1 3316/4885WEE1 2536/4885

“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.