SCHEMBL4094368

SCHEMBL4094368

O=C1c2cccc3cccc(c23)C(=O)N1Cc1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
KDM4E B2RXH2 7/20 1.00
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
POLB P06746 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
MAPT P10636 2/20 0.67
RGS12 O14924 1/20 0.67
USP2 O75604 1/20 0.67
PKM P14618 1/20 0.67
RECQL P46063 1/20 0.67
CACNA1B Q00975 1/20 0.67
APBA1 Q02410 1/20 0.67
KEAP1 Q14145 1/20 0.67
NFE2L2 Q16236 1/20 0.67
NPSR1 Q6W5P4 1/20 0.58
CYP1B1 Q16678 2/20 0.54
HEXA P06865 3/20 0.51
HEXB P07686 3/20 0.51
PDE4B Q07343 1/20 0.51

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
SCHEMBL480278 0.85 ALDH1A1 (0.73) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL5814604 0.74 CYP1B1 (0.67) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL10262751 0.74 CYP1B1 (0.71) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL16047533 0.74 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL5594225 0.73 NPSR1 (1.00) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL28960465 0.73 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL17824797 0.73 PARG (0.63) ALDH1A1KDM4EMAPTRECQLNPSR1
SCHEMBL27074516 0.72 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL24480087 0.72 HSD17B10 (0.75) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4625771 0.72 CES1 (0.59) ALDH1A1KDM4EMEN1KMT2APOLB

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 ALDH1A1 1561/4885KDM4E 2061/4885MEN1 4269/4885
US-20050250807-A1 Neurotrophin antagonist compositions NGF, NTRK2, BDNF ALDH1A1 1739/4885KDM4E 2261/4885MEN1 4175/4885
US-20020169182-A1 Neurotrophin antagonist compositions NTRK2, NGF, BDNF ALDH1A1 1523/4885KDM4E 3090/4885MEN1 4752/4885
US-20080287484-A1 Neurotrophin antagonist compositions NGF, NTRK2, BDNF ALDH1A1 1866/4885KDM4E 2031/4885MEN1 4146/4885

“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.