SCHEMBL4100436

SCHEMBL4100436

CCOC(=O)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.60
PABPC1 P11940 2/20 0.60
PIN1 Q13526 1/20 0.56
PIN4 Q9Y237 1/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 2/20 0.56
S1PR1 P21453 1/20 0.56
RAD52 P43351 1/20 0.56
RECQL P46063 1/20 0.56
RAB9A P51151 1/20 0.56
PAX8 Q06710 1/20 0.56
NTRK1 P04629 1/20 0.54
NGFR P08138 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53

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
SCHEMBL13714219 0.88 FTO (0.61) FTOPABPC1POLBMEN1KMT2A
SCHEMBL5123577 0.84 FTO (0.57) FTOPABPC1POLBMEN1KMT2A
SCHEMBL5116172 0.84 MEN1 (0.66) FTOPABPC1POLBMEN1KMT2A
SCHEMBL11395567 0.83 PIN1 (0.75) PIN1PIN4POLBMEN1KMT2A
SCHEMBL522710 0.80 PIN1 (0.62) PIN1PIN4KMT2AKDM4ERAB9A
SCHEMBL14176775 0.79 FTO (0.47) FTOPABPC1POLBMEN1KMT2A
SCHEMBL8984675 0.79 FTO (0.61) FTOPABPC1POLBMEN1KMT2A
SCHEMBL3851768 0.79 CA12 (0.55) FTOPABPC1POLBMEN1KMT2A
SCHEMBL14560564 0.78 FTO (0.73) FTOPABPC1POLBMEN1KMT2A
SCHEMBL1901643 0.78 FTO (0.72) FTOPABPC1POLBMEN1KMT2A

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 FTO 691/4885PABPC1 4728/4885PIN1 3693/4885
US-20050250807-A1 Neurotrophin antagonist compositions NGF, NTRK2, BDNF FTO 799/4885PABPC1 4714/4885PIN1 4138/4885
US-20020169182-A1 Neurotrophin antagonist compositions NTRK2, NGF, BDNF FTO 1366/4885PABPC1 4791/4885PIN1 4267/4885
US-20080287484-A1 Neurotrophin antagonist compositions NGF, NTRK2, BDNF FTO 670/4885PABPC1 4724/4885PIN1 3997/4885

“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.