SCHEMBL4095117

SCHEMBL4095117

O=C1c2cccc3cccc(c23)C(=O)N1Cc1ccccn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
PKM P14618 1/20 0.77
CYP1B1 Q16678 3/20 0.67
NPSR1 Q6W5P4 1/20 0.60
KDM4E B2RXH2 9/20 0.59
GAA P10253 3/20 0.59
UBE2N P61088 1/20 0.56
ATM Q13315 1/20 0.56
HSD17B10 Q99714 2/20 0.55
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51
HEXA P06865 2/20 0.50
HEXB P07686 2/20 0.50

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
SCHEMBL2959641 0.87 ALDH1A1 (1.00) ALDH1A1MEN1KMT2APKMCYP1B1
SCHEMBL30711693 0.87 ALDH1A1 (1.00) ALDH1A1MEN1KMT2APKMCYP1B1
SCHEMBL4100027 0.85 HSD17B10 (0.78) ALDH1A1MEN1KMT2APKMCYP1B1
SCHEMBL19889218 0.77 MEN1 (0.68) ALDH1A1MEN1KMT2APKMCYP1B1
SCHEMBL4095113 0.77 ALDH1A1 (0.64) ALDH1A1MEN1KMT2APKMCYP1B1
SCHEMBL8377843 0.77 ALDH1A1 (0.68) ALDH1A1MEN1KMT2APKMCYP1B1
SCHEMBL8314773 0.76 ALDH1A1 (0.72) ALDH1A1MEN1KMT2APKMCYP1B1
SCHEMBL5594225 0.76 NPSR1 (1.00) ALDH1A1MEN1KMT2ACYP1B1NPSR1
SCHEMBL4625520 0.74 ALDH1A1 (0.69) ALDH1A1MEN1KMT2APKMCYP1B1
SCHEMBL28765224 0.73 MEN1 (0.62) ALDH1A1MEN1KMT2APKMCYP1B1

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
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-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 ALDH1A1 1561/4885MEN1 4269/4885KMT2A 3457/4885
US-20050250807-A1 Neurotrophin antagonist compositions NGF, NTRK2, BDNF ALDH1A1 1739/4885MEN1 4175/4885KMT2A 3637/4885
US-20020169182-A1 Neurotrophin antagonist compositions NTRK2, NGF, BDNF ALDH1A1 1523/4885MEN1 4752/4885KMT2A 3113/4885
US-20080287484-A1 Neurotrophin antagonist compositions NGF, NTRK2, BDNF ALDH1A1 1866/4885MEN1 4146/4885KMT2A 3617/4885

“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.