SCHEMBL919940

SCHEMBL919940

C#CCOc1cc[c]c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.41
CA12 O43570 6/20 0.40
CA4 P22748 6/20 0.40
CA9 Q16790 6/20 0.40
CA1 P00915 2/20 0.40
MAOB P27338 9/20 0.39
MAOA P21397 6/20 0.38
ACHE P22303 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
GMPS P49915 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
KAT6A Q92794 1/20 0.34

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
SCHEMBL920868 0.83 MAOB (0.35) CA12CA9MAOBMAOA
SCHEMBL15067544 0.82 SMN1; SMN2 (0.36) KDM4EALDH1A1GLAGAA
SCHEMBL920815 0.81 MAOB (0.43) CA12CA9MAOBMAOA
SCHEMBL919721 0.80 MAOB (0.45) CA12CA9MAOBMAOA
SCHEMBL3846998 0.80 GSTP1 (0.42) GSTP1CA12CA4CA9CA1
SCHEMBL920321 0.79 ADAM17 (0.37)
SCHEMBL920522 0.79 MAOB (0.44) CA12CA9MAOBMAOA
SCHEMBL16394817 0.79 GSTP1 (0.41) GSTP1CA12CA4CA9CA1
SCHEMBL16395552 0.79 MAOB (0.44) GSTP1CA12CA4CA9CA1
SCHEMBL920024 0.78 MTNR1A (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients MITSUI CHEMICALS ARGRO, INC. (JP) 2021-10-19 US disclosed
EP-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-20200045963-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES COMPRISING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-10426169-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-10-01 US disclosed
US-10246420-B2 Pyrazole derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-02 US disclosed
US-20180103641-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-19 US disclosed
US-20170174634-A1 Novel Pyrazole Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-22 US disclosed
EP-3172190-A1 FUNGICIDAL PYRAZOLE DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2017-05-31 EP disclosed
US-20160200720-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-14 US disclosed
US-9375009-B2 Heteroarylpiperidine and piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
WO-2016012424-A1 FUNGICIDAL PYRAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
US-20150024935-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-22 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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 (10 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-20160200720-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES RB1, RBX1, RRP12 GSTP1 481/4885CA12 3822/4885CA4 1997/4885
US-20170174634-A1 Novel Pyrazole Derivatives PDK3, NLRP3, PDK2 GSTP1 200/4885CA12 4747/4885CA4 3428/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 GSTP1 656/4885CA12 2447/4885CA4 1570/4885
US-10426169-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides RB1, RBX1, RRP12 GSTP1 269/4885CA12 3726/4885CA4 1834/4885
US-20180103641-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES RB1, RBX1, RRP12 GSTP1 269/4885CA12 3726/4885CA4 1834/4885
US-20200045963-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES COMPRISING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP GSTP1 2085/4885CA12 4729/4885CA4 3011/4885
US-10246420-B2 Pyrazole derivatives PDK3, PIR, CAT GSTP1 90/4885CA12 4692/4885CA4 3252/4885
US-20150024935-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES RB1, RBX1, RRP12 GSTP1 481/4885CA12 3822/4885CA4 1997/4885
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients PNPO, PDXK, PLPBP GSTP1 2085/4885CA12 4729/4885CA4 3011/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 GSTP1 2433/4885CA12 536/4885CA4 485/4885

“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.