SCHEMBL1197541

SCHEMBL1197541

CC(=O)OC1Cc2ccc(Br)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 11/20 0.42
ADRA2A P08913 4/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
HSD17B3 P37058 2/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38

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
SCHEMBL30493157 1.00 PNMT (0.42) PNMTADRA2AADRA2BADRA2CHSD17B3
SCHEMBL27689519 0.83 PNMT (0.40) PNMTADRA2AADRA2BADRA2CHSD17B3
SCHEMBL22534362 0.83 PNMT (0.40) PNMTADRA2AADRA2BADRA2CPTPN2
SCHEMBL28381288 0.81 SLC6A4 (0.42) ADRA2AADRA2BADRA2C
SCHEMBL6200513 0.80 ALDH1A1 (0.42) HSD17B3
SCHEMBL3725001 0.80 MAPT (0.51)
SCHEMBL16127116 0.80 PNMT (0.36) PNMTPTPN2PTPN1
SCHEMBL23500946 0.79 NPC1 (0.40) PNMTADRA2AADRA2BADRA2C
SCHEMBL30493000 0.78 FABP7 (0.50)
SCHEMBL1196934 0.78 FABP7 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970185-B1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2023-07-12 EP disclosed
EP-2970185-B1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2023-07-12 EP disclosed
EP-3640249-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2020-04-22 EP disclosed
EP-3640249-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2020-04-22 EP disclosed
CN-110583663-A Compounds of formula (I) and their use as herbicides 美国陶氏益农公司 2019-12-20 CN disclosed
EP-2970185-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2016-01-20 EP disclosed
WO-2014151008-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-25 WO disclosed
US-8604056-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US disclosed
US-8383786-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-02-26 US disclosed
US-8383786-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-02-26 US disclosed
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP disclosed
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-03 US disclosed
US-7842708-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-20100204164-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-08-12 US disclosed
US-20100204164-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-08-12 US disclosed
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
EP-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 EP disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 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 (4 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-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 PNMT 1643/4885ADRA2A 1441/4885ADRA2B 2261/4885
US-20100204164-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS PNMT 60/4885ADRA2A 1687/4885ADRA2B 2148/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 PNMT 1643/4885ADRA2A 1441/4885ADRA2B 2261/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 PNMT 1643/4885ADRA2A 1441/4885ADRA2B 2261/4885

“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.