SCHEMBL981236

SCHEMBL981236

Cc1cc(Br)cc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
CHRM1 P11229 1/20 0.40
ALOX15 P16050 1/20 0.40
MAOA P21397 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39
NMT1 P30419 2/20 0.38
SIRT1 Q96EB6 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CD44 P16070 1/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
NQO2 P16083 1/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL264803 0.86 CYP3A4 (0.52) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL8354359 0.81 NMT1 (0.39) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL10872330 0.80 ALDH1A1 (0.53) CYP3A4NMT1ALDH1A1HPGDHSD17B10
SCHEMBL13550070 0.79 CYP3A4 (0.40) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL13550074 0.79 NMT1 (0.38) CYP3A4NMT1POLBALDH1A1MAPT
SCHEMBL11876475 0.78 RAPGEF4 (0.58) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL1751110 0.77 NMT1 (0.50) CYP3A4NMT1POLBALDH1A1MAPT
SCHEMBL25111805 0.77 RAPGEF4 (0.38) RAPGEF4NMT1POLBALDH1A1MAPT
SCHEMBL6378467 0.75 NMT1 (0.35) NMT1POLBMAPTMEN1KMT2A
SCHEMBL13550057 0.75 NMT1 (0.35) NMT1POLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699022-B Molecules having pesticidal utility, and intermediates, compositions and methods related to these molecules 美国陶氏益农公司 2021-11-09 CN disclosed
CN-109152363-B Molecules having pesticidal utility, and intermediates, compositions and methods related to these molecules 美国陶氏益农公司 2021-10-15 CN disclosed
EP-3407716-B9 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2021-07-14 EP disclosed
EP-3407720-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-03-10 EP disclosed
EP-3408263-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-03-03 EP disclosed
EP-3407718-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-02-17 EP disclosed
EP-3407716-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-02-17 EP disclosed
US-10681908-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2020-06-16 US disclosed
US-10251394-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2019-04-09 US disclosed
EP-3407716-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-12-05 EP disclosed
US-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-07-14 US disclosed
US-7947715-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-24 US disclosed
US-20110009438-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-01-13 US disclosed
EP-2199287-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2010-06-23 EP disclosed
US-20100010058-A1 Azoline Compounds for Combating Arthropod Pests BASF SE (DE) 2010-01-14 US disclosed
US-20090156643-A1 Substituted isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-06-18 US disclosed
US-20080312085-A1 Pesticidal Compositions BASF SE (DE) 2008-12-18 US disclosed
US-20080312085-A1 Pesticidal Compositions BASF SE (DE) 2008-12-18 US disclosed
WO-2007147701-A1 AZOLINE COMPOUNDS FOR COMBATING ARTHROPOD PESTS BASF SE (DE) 2007-12-27 WO disclosed
WO-2007071585-A1 PESTCIDAL COMPOSITIONS BASF SE (DE) 2007-06-28 WO 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 (7 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-10681908-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MSMO1 CYP3A4 1118/4885CHRM1 1208/4885ALOX15 904/4885
US-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE HCRTR1, HAX1, CHRM1 CYP3A4 507/4885CHRM1 3/4885ALOX15 3446/4885
US-10251394-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MSMO1 CYP3A4 1118/4885CHRM1 1208/4885ALOX15 904/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 CYP3A4 259/4885CHRM1 3/4885ALOX15 2667/4885
US-20110009438-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT CCR10, H1-10, CCL11 CYP3A4 1235/4885CHRM1 50/4885ALOX15 4817/4885
US-20100010058-A1 Azoline Compounds for Combating Arthropod Pests NR0B1, NR4A1, NR4A3 CYP3A4 93/4885CHRM1 155/4885ALOX15 3892/4885
US-20080312085-A1 Pesticidal Compositions ANXA1, PRDX1, PRDX2 CYP3A4 2182/4885CHRM1 95/4885ALOX15 172/4885

“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.