SCHEMBL474256

SCHEMBL474256

OC(c1ccccc1)c1ncco1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.42
KCNA5 P22460 1/20 0.39
CTSA P10619 3/20 0.39
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
CASP3 P42574 1/20 0.38
HTT P42858 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
AOC3 Q16853 1/20 0.37
KDM5A P29375 1/20 0.37
ALDH1A1 P00352 2/20 0.37
USP9X Q93008 1/20 0.36
HPGDS O60760 1/20 0.36
TDO2 P48775 1/20 0.36

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
SCHEMBL13350411 0.83 CYP3A4 (0.46) SMN1; SMN2LMNAKDM4EKCNA5CTSA
SCHEMBL6821878 0.81 CFTR (0.40) SMN1; SMN2LMNAKCNA5HPGDGAA
SCHEMBL3998595 0.81 CTSA (0.40) CTSA
SCHEMBL4001991 0.81 HPGD (0.45) KCNA5CTSAHPGD
SCHEMBL4005492 0.80 CTSA (0.43) KCNA5CTSA
SCHEMBL6115561 0.78 MAPT (0.43) SMN1; SMN2KDM4EKCNA5
SCHEMBL4009328 0.78 CTSA (0.42) LMNACTSAGAAAOC3ALDH1A1
SCHEMBL1803210 0.77 DPP4 (0.38) CTSAHPGDS
SCHEMBL20773271 0.77 CTSA (0.39) CTSAHPGDS
SCHEMBL4004965 0.77 TSHR (0.38) SMN1; SMN2LMNAKDM4EKCNA5CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493297-B1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2016-08-17 EP disclosed
EP-2112206-B1 Polymer Composition ROHM & HAAS (US) 2016-06-29 EP disclosed
EP-2166043-B1 Thickener composition and method for thickening aqueous systems ROHM & HAAS (US) 2016-04-27 EP disclosed
US-9181181-B2 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease ALBIREO AB (SE) 2015-11-10 US disclosed
US-8987310-B2 Heterocycle amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease ALBIREO AB (SE) 2014-10-09 US disclosed
US-8785681-B2 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease ALBIREO AB (SE) 2014-07-22 US disclosed
US-20120202852-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2012-08-09 US disclosed
US-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 US disclosed
EP-2166044-B1 Thickened compositions and method for thickening aqueous polymer compositions ROHM & HAAS (US) 2012-02-01 EP disclosed
US-7741402-B2 Thickener composition and method for thickening aqueous systems ROHM AND HAAS COMPANY (US) 2010-06-22 US disclosed
US-20100076145-A1 Thickener composition and method for thickening aqueous systems ROHM AND HAAS COMPANY 2010-03-25 US disclosed
EP-2166044-A1 Thickened compositions and method for thickening aqueous polymer compositions Rohm and Haas Company (US) 2010-03-24 EP disclosed
EP-2166043-A2 Thickener composition and method for thickening aqueous systems Rohm and Haas Company (US) 2010-03-24 EP disclosed
EP-2125711-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE Albireo Ab (SE) 2009-12-02 EP disclosed
EP-2112206-A1 Polymer Composition Rohm and Haas Company (US) 2009-10-28 EP disclosed
WO-2009079597-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO disclosed
US-20080234411-A1 Thickener composition and method for thickening aqueous systems ROHM AND HAAS COMPANY 2008-09-25 US disclosed
EP-1972665-A2 Thickener composition and method for thickening aqueous systems Rohm and Haas Company (US) 2008-09-24 EP disclosed
WO-2008108735-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2008-09-12 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 (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-20120202852-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS CACNA1G, CACNA1H, CACNA1I SMN1; SMN2 2668/4885LMNA 2206/4885KDM4E 3538/4885
US-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R SMN1; SMN2 3545/4885LMNA 3751/4885KDM4E 4085/4885
US-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 SMN1; SMN2 2799/4885LMNA 4572/4885KDM4E 1332/4885

“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.