SCHEMBL78162

SCHEMBL78162

Cc1cc(Cl)c(C(C)(C)C)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
HTT P42858 1/20 0.38
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
HIF1A Q16665 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 3/20 0.32
RAPGEF4 Q8WZA2 2/20 0.31
HSPA5 P11021 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRB2 P47870 1/20 0.31
PDK2 Q15119 1/20 0.30
PDE7A Q13946 1/20 0.30

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
SCHEMBL12597845 0.87 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2ALDH1A1CA2POLB
SCHEMBL78435 0.85 L3MBTL1 (0.35) L3MBTL1SMN1; SMN2ALDH1A1CA2POLB
SCHEMBL22043364 0.81 NMT1 (0.38) SMN1; SMN2POLBHTTCYP2C9CYP2C19
SCHEMBL12251273 0.80 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1CA2POLBHTT
SCHEMBL13166875 0.78 GABRB2 (0.42) ALDH1A1POLBTYRCYP2C19TSHR
SCHEMBL8220419 0.76 POLB (0.31) POLBPDK2
SCHEMBL22140224 0.76 TTR (0.32)
SCHEMBL10936836 0.76 HSD17B10 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL22043269 0.75 HTT (0.34) L3MBTL1HTT
SCHEMBL22454710 0.74 RAPGEF4 (0.34) L3MBTL1HTTRAPGEF4PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-05-18 US disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
WO-2020124397-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed
WO-2020125615-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 US disclosed
US-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2018-05-24 US disclosed
US-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2018-05-24 US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 US disclosed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 US disclosed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US disclosed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US disclosed
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
US-20080039639-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-02-14 US disclosed
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 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 (12 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-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF HTR2C, HTR3B, HTR1A L3MBTL1 3630/4885SMN1; SMN2 2188/4885ALDH1A1 2034/4885
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 L3MBTL1 3943/4885SMN1; SMN2 1535/4885ALDH1A1 2512/4885
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 L3MBTL1 3104/4885SMN1; SMN2 4427/4885ALDH1A1 525/4885
US-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof APRT, GART, PNP L3MBTL1 3908/4885SMN1; SMN2 3208/4885ALDH1A1 1748/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP L3MBTL1 2071/4885SMN1; SMN2 3515/4885ALDH1A1 814/4885
US-20080039639-A1 Chromane and chromene derivatives and uses thereof HTR1A, CHRM1, HTR2C L3MBTL1 4059/4885SMN1; SMN2 1404/4885ALDH1A1 2329/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A L3MBTL1 3726/4885SMN1; SMN2 1352/4885ALDH1A1 814/4885
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R L3MBTL1 4212/4885SMN1; SMN2 2935/4885ALDH1A1 1164/4885
US-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof APRT, GART, PNP L3MBTL1 3908/4885SMN1; SMN2 3208/4885ALDH1A1 1748/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 L3MBTL1 3104/4885SMN1; SMN2 4427/4885ALDH1A1 525/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R L3MBTL1 4011/4885SMN1; SMN2 1616/4885ALDH1A1 809/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP L3MBTL1 2071/4885SMN1; SMN2 3515/4885ALDH1A1 814/4885

“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.