SCHEMBL4190259

SCHEMBL4190259

[CH2]C(O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
THRB P10828 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ACP3 P15309 3/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX12 P18054 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL457445 0.78 SIGMAR1 (0.47) IDO1THRBSIGMAR1ACP3POLB
SCHEMBL214408 0.77 SIGMAR1 (0.61) IDO1THRBSIGMAR1ACP3POLB
SCHEMBL19985055 0.77 SMN1; SMN2 (0.51) IDO1THRBSIGMAR1ACP3POLB
SCHEMBL11357717 0.77 SIGMAR1 (0.46) IDO1THRBSIGMAR1ACP3POLB
SCHEMBL23505782 0.76 ACP3 (0.55) IDO1THRBSIGMAR1ACP3POLB
SCHEMBL10513016 0.76 SIGMAR1 (0.59) IDO1THRBSIGMAR1ACP3POLB
Bromide SCHEMBL11864027 0.76 SIGMAR1 (0.59) IDO1THRBSIGMAR1ACP3POLB
SCHEMBL29118392 0.76 SIGMAR1 (0.48) IDO1THRBSIGMAR1ACP3POLB
SCHEMBL10961493 0.76 SIGMAR1 (0.59) IDO1THRBSIGMAR1ACP3POLB
Ammonia Solution, Strong SCHEMBL28636991 0.76 SIGMAR1 (0.48) IDO1THRBSIGMAR1ACP3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275986-A1 Use of purine derivatives for the production of medicaments for the treatment of mucoviscidosis and diseases related to protein addressing errors in cells CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-11-29 US claimed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US claimed
EP-1802310-B1 USE OF PURINE DERIVATIVES FOR THE PRODUCTION OF MEDICAMENTS FOR THE TREATMENT OF MUCOVISCIDOSIS AND DISEASES RELATED TO PROTEIN ADDRESSING ERRORS IN CELLS MANROS THERAPEUTICS (FR) 2014-12-17 EP disclosed
US-8492420-B2 Use of purine derivatives for the production of medicaments for the treatment of mucoviscidosis and diseases related to protein addressing errors in cells CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2013-07-23 US disclosed
EP-1796675-A4 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES MERCK & CO INC (US) 2009-03-04 EP disclosed
US-20070275986-A1 Use of purine derivatives for the production of medicaments for the treatment of mucoviscidosis and diseases related to protein addressing errors in cells CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-11-29 US disclosed
EP-1802310-A1 USE OF PURINE DERIVATIVES FOR THE PRODUCTION OF MEDICAMENTS FOR THE TREATMENT OF MUCOVISCIDOSIS AND DISEASES RELATED TO PROTEIN ADDRESSING ERRORS IN CELLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-07-04 EP disclosed
EP-1796675-A2 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES Merck & Co., Inc. (US) 2007-06-20 EP disclosed
WO-2006042949-A1 USE OF PURINE DERIVATIVES FOR THE PRODUCTION OF MEDICAMENTS FOR THE TREATMENT OF MUCOVISCIDOSIS AND DISEASES RELATED TO PROTEIN ADDRESSING ERRORS IN CELLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2006-04-27 WO disclosed
WO-2006039252-A2 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES MERCK & CO., INC. (US) 2006-04-13 WO disclosed
CN-1322224-A Preform for hollon molding made of polyester resin composition, hollow molding made of polyester resin composition, and process for producing same MITSUI CHEMICALS INC (JP) 2001-11-14 CN disclosed
EP-0906308-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
EP-0861244-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1997045426-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-04 WO disclosed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed
EP-0804434-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1997-11-05 EP disclosed
WO-1997018201-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 WO disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 WO disclosed
CN-1014516-B PHENYL ETHERS ICI PLC (GB) 1991-10-30 CN disclosed
CN-86105400-A Tea ether 1987-03-11 CN 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 (1 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-20070275986-A1 Use of purine derivatives for the production of medicaments for the treatment of mucoviscidosis and diseases related to protein addressing errors in cells TPMT, PNP, HRH2 IDO1 3128/4885THRB 2425/4885SIGMAR1 1318/4885

“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.