SCHEMBL954426

SCHEMBL954426

CC(C#N)c1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C9 P11712 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
TRPA1 O75762 1/20 0.35
TSHR P16473 2/20 0.33
HSD11B1 P28845 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CYP1A1 P04798 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP1B1 Q16678 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CCR1 P32246 1/20 0.31

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
SCHEMBL8763608 0.84 TSHR (0.42) ALDH1A1CYP3A4TRPA1TSHRMAOB
SCHEMBL10079991 0.80 HTT (0.40) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL10637927 0.79 IDO1 (0.38) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL9818280 0.78 HTT (0.42) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL29433705 0.76 ESR1 (0.46) ALDH1A1TRPA1TSHRGABRA1GABRB2
SCHEMBL954806 0.76 ESR1 (0.46) ALDH1A1TRPA1TSHRGABRA1GABRB2
SCHEMBL3497477 0.74 TSHR (0.50) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL28647725 0.74 IDO1 (0.36) HTTALDH1A1IDO1TDO2TRPA1
SCHEMBL6687100 0.74 TSHR (0.50) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL7865917 0.74 IDO1 (0.40) HTTALDH1A1IDO1TDO2TRPA1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103502248-A Pyrazolo pyrimidine derivatives NOVARTIS AG 2014-01-08 CN claimed
EP-2943495-B1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2016-12-28 EP disclosed
EP-2943495-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE Savira Pharmaceuticals GmbH (AT) 2015-11-18 EP disclosed
CN-104918942-A Pyrimidone derivatives and their use for treating, ameliorating or preventing viral diseases SAVIRA PHARMACEUTICALS GMBH 2015-09-16 CN disclosed
US-9045486-B2 Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease SAVIRA PHARMACEUTICALS GMBH (AT) 2015-06-02 US disclosed
US-9045486-B2 Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease SAVIRA PHARMACEUTICALS GMBH (AT) 2015-06-02 US disclosed
US-9045486-B2 Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease SAVIRA PHARMACEUTICALS GMBH (AT) 2015-06-02 US disclosed
WO-2014108406-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2014-07-17 WO disclosed
WO-2014108406-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2014-07-17 WO disclosed
US-20140194431-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2014-07-10 US disclosed
CN-100581543-C Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG 2010-01-20 CN disclosed
US-7638515-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-29 US disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
CN-1889947-A Tetrahydronaphthalene derivatives, process for their preparation and their use as anti-inflammatory agents SCHERING AG (DE) 2007-01-03 CN disclosed
EP-1670458-B1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AG (DE) 2006-12-20 EP disclosed
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 US 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 (5 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-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B HTT 407/4885ALDH1A1 412/4885CYP2C19 44/4885
US-20140194431-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE TPMT, XDH, DPYD HTT 2572/4885ALDH1A1 520/4885CYP2C19 212/4885
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES HTT 104/4885ALDH1A1 511/4885CYP2C19 271/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES HTT 286/4885ALDH1A1 280/4885CYP2C19 195/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES HTT 104/4885ALDH1A1 511/4885CYP2C19 271/4885

“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.