SCHEMBL4100333

SCHEMBL4100333

CCCCCCCCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.73
KMT2A Q03164 12/20 0.73
POLB P06746 7/20 0.73
NPSR1 Q6W5P4 6/20 0.73
CCR6 P51684 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
LMNA P02545 3/20 0.73
ALDH1A1 P00352 2/20 0.73
PABPC1 P11940 2/20 0.73
HDAC3 O15379 2/20 0.69
HDAC1 Q13547 2/20 0.69
HDAC11 Q96DB2 2/20 0.69
HDAC8 Q9BY41 2/20 0.69
HDAC6 Q9UBN7 2/20 0.69
NCOR2 Q9Y618 2/20 0.69
RAB9A P51151 4/20 0.59
NPC1 O15118 6/20 0.59
MAPT P10636 6/20 0.55
HTT P42858 5/20 0.55
MAPK1 P28482 2/20 0.55

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
SCHEMBL14560563 0.95 MEN1 (0.76) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL10314966 0.86 HDAC3 (0.77) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL11938816 0.86 MEN1 (0.53) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL12009445 0.86 MEN1 (0.53) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL5110975 0.85 HDAC3 (0.78) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL10018568 0.84 MEN1 (0.68) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL16213194 0.84 MEN1 (1.00) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL9504085 0.84 MEN1 (0.71) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL4100327 0.83 POLB (0.52) MEN1KMT2APOLBNPSR1CCR6
SCHEMBL5114261 0.83 HDAC3 (0.77) MEN1KMT2APOLBNPSR1CCR6

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 MEN1 4269/4885KMT2A 3457/4885POLB 2700/4885
US-20050250807-A1 Neurotrophin antagonist compositions NGF, NTRK2, BDNF MEN1 4175/4885KMT2A 3637/4885POLB 2609/4885
US-20020169182-A1 Neurotrophin antagonist compositions NTRK2, NGF, BDNF MEN1 4752/4885KMT2A 3113/4885POLB 3133/4885
US-20080287484-A1 Neurotrophin antagonist compositions NGF, NTRK2, BDNF MEN1 4146/4885KMT2A 3617/4885POLB 2702/4885

“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.