SCHEMBL3943765

SCHEMBL3943765

O=C1c2ccccc2[CH]Cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.56
CES1 P23141 4/20 0.50
BCHE P06276 3/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CDC25B P30305 1/20 0.44
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
PTPRC P08575 2/20 0.42
THRB P10828 2/20 0.42
RECQL P46063 2/20 0.42
PKM P14618 2/20 0.42
IDO1 P14902 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
PTPN1 P18031 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL9013355 0.82 KDM4E (0.39) MAOACES1BCHEKMT2AALDH1A1
SCHEMBL57446 0.73 MAOA (0.46) MAOACES1BCHEMEN1KMT2A
SCHEMBL1450360 0.73 MEN1 (0.39) MAOACES1BCHEMEN1KMT2A
SCHEMBL44496 0.72 CES1 (0.90) MAOACES1BCHEMEN1KMT2A
SCHEMBL29408351 0.72 CES1 (0.90) MAOACES1BCHEMEN1KMT2A
Anthrone SCHEMBL29357010 0.72 MAOA (1.00) MAOACES1BCHEMEN1KMT2A
SCHEMBL29437756 0.72 CES1 (0.90) MAOACES1BCHEMEN1KMT2A
Anthrone SCHEMBL1527782 0.72 MAOA (1.00) MAOACES1BCHEMEN1KMT2A
Anthrone SCHEMBL18143 0.72 MAOA (1.00) MAOACES1BCHEMEN1KMT2A
Anthrone SCHEMBL29448801 0.72 MAOA (1.00) MAOACES1BCHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US claimed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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 (3 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MAOA 272/4885CES1 2154/4885BCHE 119/4885
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R MAOA 151/4885CES1 3013/4885BCHE 2164/4885
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 MAOA 84/4885CES1 1600/4885BCHE 179/4885

“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.