SCHEMBL4113016

SCHEMBL4113016

Nc1ccccc1-c1c2cc3ccccc3c1C(=O)NC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.44
CASP7 P55210 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
RGS12 O14924 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
APEX1 P27695 1/20 0.44
CASP1 P29466 1/20 0.44
BRCA1 P38398 1/20 0.44
MTOR P42345 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
GNAI1 P63096 1/20 0.44
HBB P68871 1/20 0.44

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
SCHEMBL4101250 0.82 CHEK1 (0.43) PARP1MEN1CYP3A4MAPTCYP2C9
SCHEMBL7915346 0.81 GSK3B (0.42) PARP1CASP7NPSR1MEN1RGS12
SCHEMBL339346 0.80 GAA (0.41) PARP1CASP7NPSR1MEN1RGS12
SCHEMBL1654813 0.80 ALOX5 (0.51) PARP1MEN1RECQLKMT2ATDP1
SCHEMBL7767469 0.78 MEN1 (0.50) MEN1MAPTRECQLKMT2ATDP1
SCHEMBL3079295 0.76 CES1 (0.63) PARP1CASP7NPSR1MEN1RGS12
SCHEMBL31241414 0.76 CES1 (0.63) PARP1CASP7NPSR1MEN1RGS12
SCHEMBL6101809 0.74 NQO1 (0.58) PARP1MEN1MAPTKMT2ACHEK1
SCHEMBL338831 0.74 PARP1 (0.51) PARP1CASP7NPSR1MEN1RGS12
SCHEMBL11310333 0.72 ERN1 (0.41) PARP1CASP7MEN1CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3976/4885CASP7 155/4885NPSR1 45/4885
US-20050250807-A1 Neurotrophin antagonist compositions NGF, NTRK2, BDNF PARP1 4027/4885CASP7 86/4885NPSR1 49/4885
US-20020169182-A1 Neurotrophin antagonist compositions NTRK2, NGF, BDNF PARP1 4325/4885CASP7 467/4885NPSR1 168/4885
US-20080287484-A1 Neurotrophin antagonist compositions NGF, NTRK2, BDNF PARP1 4114/4885CASP7 90/4885NPSR1 47/4885

“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.