SCHEMBL4085546

SCHEMBL4085546

COC(=O)c1ccccc1Oc1ncc(Br)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.52
SLC6A3 Q01959 3/20 0.51
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44

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
SCHEMBL29805952 1.00 KMT2A (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL18284643 0.85 ALDH1A1 (0.60) KMT2AMEN1SMN1; SMN2ALDH1A1SLC6A3
SCHEMBL30024556 0.85 LMNA (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL3983758 0.85 LMNA (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL29805855 0.83 HTT (0.50) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL15880384 0.83 KMT2A (0.60) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL4318924 0.81 ALDH1A1 (0.69) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL2441955 0.79 SLC6A3 (0.65) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL15880378 0.77 KMT2A (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL9384288 0.77 ALDH1A1 (0.68) KMT2AMEN1SMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300879-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES FMC CORP (US) 2021-09-30 US claimed
US-11053204-B2 Pyrimidinyloxy benzene derivatives as herbicides FMC CORPORATION (US) 2021-07-06 US claimed
US-20180105501-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES FMC CORPORATION 2018-04-19 US claimed
EP-3303305-A1 2-(PHENYLOXY OR PHENYLTHIO)PYRIMIDINE DERIVATIVES AS HERBICIDES E. I. du Pont de Nemours and Company (US) 2018-04-11 EP claimed
WO-2016196606-A1 2-(PHENYLOXY OR PHENYLTHIO)PYRIMIDINE DERIVATIVES AS HERBICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2016-12-08 WO claimed
CN-115785000-A 2- (phenoxy or phenylthio) pyrimidine derivatives as herbicides, compositions thereof and methods of controlling undesirable vegetation therewith FMC公司 2023-03-14 CN disclosed
CN-107635974-B 2- (phenoxy or phenylthio) pyrimidine derivatives as herbicides FMC公司 2022-12-20 CN disclosed
EP-3303305-B9 2-(PHENYLOXY OR PHENYLTHIO)PYRIMIDINE DERIVATIVES AS HERBICIDES FMC CORP (US) 2022-07-13 EP disclosed
EP-3943486-A1 2-(PHENYLOXY OR PHENYLTHIO)PYRIMIDINE DERIVATIVES AS HERBICIDES FMC Corporation (US) 2022-01-26 EP disclosed
EP-3303305-B1 2-(PHENYLOXY OR PHENYLTHIO)PYRIMIDINE DERIVATIVES AS HERBICIDES FMC CORP (US) 2022-01-05 EP disclosed
US-20210300879-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES FMC CORP (US) 2021-09-30 US disclosed
US-11053204-B2 Pyrimidinyloxy benzene derivatives as herbicides FMC CORPORATION (US) 2021-07-06 US disclosed
US-20180105501-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES FMC CORPORATION 2018-04-19 US disclosed
EP-3303305-A1 2-(PHENYLOXY OR PHENYLTHIO)PYRIMIDINE DERIVATIVES AS HERBICIDES E. I. du Pont de Nemours and Company (US) 2018-04-11 EP disclosed
WO-2016196606-A1 2-(PHENYLOXY OR PHENYLTHIO)PYRIMIDINE DERIVATIVES AS HERBICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2016-12-08 WO disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 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-20180105501-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES DDT, CBR3, CYP1B1 KMT2A 2573/4885MEN1 4156/4885SMN1; SMN2 4327/4885
US-11053204-B2 Pyrimidinyloxy benzene derivatives as herbicides DDT, CBR3, CYP1B1 KMT2A 2573/4885MEN1 4156/4885SMN1; SMN2 4327/4885
US-20210300879-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES DDT, CBR3, CYP1B1 KMT2A 2573/4885MEN1 4156/4885SMN1; SMN2 4327/4885
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 KMT2A 620/4885MEN1 1922/4885SMN1; SMN2 3057/4885

“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.