SCHEMBL16736615

SCHEMBL16736615

CN1c2ccc([N+](=O)[O-])cc2N(C)S1(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
CASP1 P29466 1/20 0.49
CASP3 P42574 1/20 0.49
CASP4 P49662 1/20 0.49
CASP7 P55210 1/20 0.49
CASP9 P55211 1/20 0.49
CASP6 P55212 1/20 0.49
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 3/20 0.43
ESPL1 Q14674 1/20 0.43
HTT P42858 2/20 0.42
SNCA P37840 1/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL27828841 0.76 L3MBTL1 (0.54) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL6594993 0.75 LMNA (0.48) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL7996831 0.74 L3MBTL1 (0.66) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL9499652 0.73 L3MBTL1 (0.51) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL31714633 0.71 SIRT6 (0.42) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL6069932 0.69 KMT2A (0.53) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL9590694 0.69 CASP1 (0.54) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL17678255 0.69 ALDH1A1 (0.49) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL5477312 0.68 LMNA (0.48) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL17378553 0.68 L3MBTL1 (0.57) L3MBTL1CASP1CASP3CASP4CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 US disclosed
CN-106983751-B Bicyclic substituted uracils and their use 拜耳医药股份有限公司 2020-01-07 CN disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-13 US disclosed
US-9949978-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9949978-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9949977-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9949977-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
EP-3045456-B1 BICYCLIC SUBSTITUTED URACILS AND THEIR USE Bayer Pharma AG (DE) 2017-10-25 EP disclosed
US-20170020876-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
US-20170020876-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
US-20170020875-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
US-20170020875-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
US-9481672-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-01 US disclosed
US-9481672-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-01 US disclosed
EP-3045456-A1 BICYCLIC SUBSTITUTED URACILS AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2016-07-20 EP disclosed
EP-2847190-B1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF Bayer Pharma AG (DE) 2016-04-06 EP disclosed
US-20150148340-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
US-20150148340-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 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 (6 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-20170020875-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP L3MBTL1 1198/4885CASP1 1846/4885CASP3 985/4885
US-20170020876-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP L3MBTL1 1198/4885CASP1 1846/4885CASP3 985/4885
US-10300062-B2 Bicyclically substituted uracils and the use thereof UNG, UMPS, TYMP L3MBTL1 1198/4885CASP1 1846/4885CASP3 985/4885
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP L3MBTL1 1198/4885CASP1 1846/4885CASP3 985/4885
US-20150148340-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP L3MBTL1 1198/4885CASP1 1846/4885CASP3 985/4885
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP L3MBTL1 1198/4885CASP1 1846/4885CASP3 985/4885

“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.