SCHEMBL678704

SCHEMBL678704

CCCCOCCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc(N)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
ESR1 P03372 1/20 0.35
CYP3A4 P08684 2/20 0.35
ABCB11 O95342 1/20 0.35
ADRA2B P18089 1/20 0.35
OPRD1 P41143 1/20 0.35
SCN5A Q14524 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4D Q08499 2/20 0.34
CYP1A2 P05177 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
SCHEMBL679111 0.94 SMN1; SMN2 (0.45) SMN1; SMN2MAPTLMNAATML3MBTL1
SCHEMBL678754 0.90 ALDH1A1 (0.43) SMN1; SMN2MAPTLMNAATML3MBTL1
SCHEMBL679235 0.86 GRM6 (0.37) SMN1; SMN2MAPTLMNACYP3A4ALDH1A1
SCHEMBL678172 0.85 MAPT (0.39) SMN1; SMN2MAPTLMNAATML3MBTL1
SCHEMBL1918872 0.83 SMN1; SMN2 (0.42) SMN1; SMN2MAPTLMNAATML3MBTL1
SCHEMBL679753 0.82 KDM4E (0.38) SMN1; SMN2L3MBTL1GAAALDH1A1TSHR
SCHEMBL29769728 0.82 KDM4E (0.38) SMN1; SMN2L3MBTL1GAAALDH1A1TSHR
SCHEMBL21584357 0.81 SCNN1A (0.37) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL679290 0.81 PKM (0.35) SMN1; SMN2MAPTCYP3A4ALDH1A1KMT2A
SCHEMBL11913425 0.81 SMN1; SMN2 (0.39) SMN1; SMN2MAPTLMNAGAAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785350-B2 Herbicidal compositions for tolerant or resistant soybean crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-22 US claimed
US-20130023413-A1 HERBICIDAL COMPOSITIONS FOR TOLERANT OR RESISTANT SOYBEAN CROPS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 US claimed
US-20110294663-A1 Herbicidal composition for tolerant or resistant corn crops BAYER CROPSCIENCE AG (DE) 2011-12-01 US claimed
US-20110287933-A1 Herbicidal composition for tolerant or resistant oilseed rape crops BAYER CROPSCIENCE AG (DE) 2011-11-24 US claimed
US-20110287932-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT CEREAL CROPS BAYER CROPSCIENCE AG (DE) 2011-11-24 US claimed
US-20110287934-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT RICE CROPS BAYER CROPSCIENCE AG (DE) 2011-11-24 US claimed
US-9253985-B2 Herbicidal composition for tolerant or resistant cereal crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
US-8785350-B2 Herbicidal compositions for tolerant or resistant soybean crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-22 US disclosed
US-20130023413-A1 HERBICIDAL COMPOSITIONS FOR TOLERANT OR RESISTANT SOYBEAN CROPS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 US disclosed
US-20110294663-A1 Herbicidal composition for tolerant or resistant corn crops BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
US-20110287933-A1 Herbicidal composition for tolerant or resistant oilseed rape crops BAYER CROPSCIENCE AG (DE) 2011-11-24 US disclosed
US-20110287932-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT CEREAL CROPS BAYER CROPSCIENCE AG (DE) 2011-11-24 US disclosed
US-20110287934-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT RICE CROPS BAYER CROPSCIENCE AG (DE) 2011-11-24 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 (5 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-20110287932-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT CEREAL CROPS CYP8B1, HDHD5, HAGH SMN1; SMN2 2971/4885MAPT 4004/4885LMNA 2627/4885
US-20110294663-A1 Herbicidal composition for tolerant or resistant corn crops CRY1, CYP8B1, CNPY2 SMN1; SMN2 3104/4885MAPT 3851/4885LMNA 1888/4885
US-20110287933-A1 Herbicidal composition for tolerant or resistant oilseed rape crops CYP8B1, HDHD5, NCEH1 SMN1; SMN2 4467/4885MAPT 3918/4885LMNA 2743/4885
US-20110287934-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT RICE CROPS CYP8B1, DDT, HDHD5 SMN1; SMN2 3201/4885MAPT 4396/4885LMNA 2949/4885
US-20130023413-A1 HERBICIDAL COMPOSITIONS FOR TOLERANT OR RESISTANT SOYBEAN CROPS CTH, GGH, CBR3 SMN1; SMN2 3239/4885MAPT 4597/4885LMNA 2087/4885

“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.