SCHEMBL4734576

SCHEMBL4734576

CC(C)c1ccc(C#N)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.56
IMPDH1 P20839 2/20 0.56
AR P10275 10/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.39
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL18905192 0.88 IMPDH2 (0.47) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL21350527 0.85 IMPDH2 (0.49) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL8781825 0.80 GABRA1 (0.48) TSHR
SCHEMBL29489135 0.80 IMPDH2 (0.64) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL151936 0.80 IMPDH2 (0.64) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL30876294 0.80 GABRA1 (0.48) TSHR
SCHEMBL23625615 0.78 IMPDH2 (0.35) IMPDH2IMPDH1ARALDH1A1
SCHEMBL700629 0.78 IMPDH2 (0.42) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL11193357 0.78 IMPDH2 (0.61) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL18368401 0.77 HTT (0.47) IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275867-B1 PYRIDO-FUSED BICYCLIC COMPOUNDS AS URAT1 INHIBITORS FOR TREATING HYPERURICEMIA SHANGHAI YINGLI PHARM CO LTD (CN) 2020-06-10 EP disclosed
EP-3275867-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Yingli Pharmaceutical Co. Ltd. (CN) 2018-01-31 EP disclosed
US-20160221969-A1 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. 2016-08-04 US disclosed
US-20140128338-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2014-05-08 US disclosed
US-8633232-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2014-01-21 US disclosed
US-20130040907-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2013-02-14 US disclosed
US-20130040907-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2013-02-14 US disclosed
US-20130040963-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels ARDEA BIOSCIENCES, INC. (US) 2013-02-14 US disclosed
US-20130040963-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels ARDEA BIOSCIENCES, INC. (US) 2013-02-14 US disclosed
US-8344012-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-01-01 US disclosed
US-8193234-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2012-06-05 US disclosed
US-8173690-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2012-05-08 US disclosed
US-8173690-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2012-05-08 US disclosed
US-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20100056593-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20100056593-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20100056465-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20100056542-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20100056542-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 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 (8 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-20100056465-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT IMPDH2 916/4885IMPDH1 955/4885AR 2637/4885
US-20130040963-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels XDH, PON1, OAT IMPDH2 916/4885IMPDH1 955/4885AR 2637/4885
US-20140128338-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT IMPDH2 916/4885IMPDH1 955/4885AR 2637/4885
US-20100056593-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT IMPDH2 916/4885IMPDH1 955/4885AR 2637/4885
US-20160221969-A1 Compounds, compositions and methods of using same for modulating uric acid levels XDH, PON1, OAT IMPDH2 916/4885IMPDH1 955/4885AR 2637/4885
US-20100056542-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, OAT, PON1 IMPDH2 1035/4885IMPDH1 1106/4885AR 2700/4885
US-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT IMPDH2 916/4885IMPDH1 955/4885AR 2637/4885
US-20130040907-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels XDH, PON1, OAT IMPDH2 916/4885IMPDH1 955/4885AR 2637/4885

“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.