SCHEMBL3746892

SCHEMBL3746892

[CH2]Cc1ccc(Cl)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
PNMT P11086 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
GRM2 Q14416 2/20 0.38
IDO1 P14902 2/20 0.37
SLC6A3 Q01959 3/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
MEN1 O00255 1/20 0.33
PLA2G1B P04054 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL10823078 0.83 PNMT (0.45) MAPTMAPK1PNMTTAAR1GRM2
SCHEMBL151278 0.82 PIK3CA (0.44) MAPTPNMTTAAR1MEN1PLA2G1B
SCHEMBL31634179 0.79 MAPT (0.42) MAPTMAPK1PNMTTAAR1GRM2
SCHEMBL4524759 0.79 MAPT (0.42) MAPTMAPK1PNMTTAAR1GRM2
SCHEMBL93982 0.78 IDO1 (0.58) PNMTTAAR1IDO1SLC6A3SLC6A4
SCHEMBL126440 0.78 HTT (0.45)
SCHEMBL119714 0.77 CYP4F2 (0.42) MAPTMAPK1PNMTTAAR1GRM2
SCHEMBL257064 0.77 TRPA1 (0.41) MAPTMAPK1PNMTTAAR1GRM2
SCHEMBL2092845 0.77 MAPT (0.41) MAPTMAPK1PNMTTAAR1GRM2
SCHEMBL295912 0.77 PNMT (0.48) MAPTMAPK1PNMTTAAR1SLC6A3

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
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO claimed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
EP-3129025-A1 PROCESS FOR THE MANUFACTURING OF MEDICAMENTS Genentech, Inc. (US) 2017-02-15 EP disclosed
WO-2016095088-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2015154674-A1 PROCESS FOR THE MANUFACTURING OF MEDICAMENTS GENENTECH, INC. (US) 2015-10-15 WO disclosed
EP-2887802-A2 METHODS OF SOIL PEST CONTROL Syngenta Participations AG (CH) 2015-07-01 EP disclosed
WO-2014029706-A2 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029710-A2 METHODS OF SOIL PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029707-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029708-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014019609-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2014-02-06 WO disclosed
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US disclosed
CN-1809362-A Substituted 1,4-diazepines and uses thereof JOHNSON & JOHNSON (US) 2006-07-26 CN disclosed
US-4053478-A ARTERIOSCLEROSIS, THROMBOSIS, HYPERTENSION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1977-10-11 US disclosed
US-4012412-A USEFUL IN THE TREATMENT OF HYPERTENSION, ARTERIOSCLEROSIS, AND THROMBOSIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1977-03-15 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 (1 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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT MAPT 2257/4885MAPK1 1845/4885PNMT 591/4885

“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.