SCHEMBL2103789

SCHEMBL2103789

Nc1cccc(C(=O)Nc2c(Br)cc([S+]([O-])C(F)(F)C(F)(F)C(F)(F)F)cc2Br)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
ULK1 O75385 1/20 0.37
KCNJ11 Q14654 1/20 0.37
BTK Q06187 2/20 0.37
HDAC1 Q13547 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
P2RX1 P51575 1/20 0.34
LMNA P02545 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
SCHEMBL2105615 0.85 KCNK3 (0.47) MAPTMEN1KMT2ALMNA
SCHEMBL698112 0.84 ABCC9 (0.50) KDM4EALDH1A1SMN1; SMN2NPSR1KCNJ11
SCHEMBL699708 0.83 KCNJ11 (0.34) KCNJ11MAPTMEN1KMT2AP2RX1
SCHEMBL699014 0.78 PTGS1 (0.47) PTGS1KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL16430397 0.76 ALDH1A1 (0.57) PTGS1KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL4177831 0.76 PTGS1 (0.46) PTGS1KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL13875652 0.75 KDM4E (0.46) PTGS1KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL1360387 0.73 PTGS1 (0.45) PTGS1KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL404470 0.72 PTGS1 (0.51) PTGS1KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL3135074 0.72 PTGS1 (0.48) PTGS1KDM4EALDH1A1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373947-A1 AMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS INSECTICIDE MITSUI CHEMICALS, INC. (JP) 2023-11-23 US disclosed
US-11760742-B2 Amide derivatives, process for preparation thereof and use thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2023-09-19 US disclosed
US-20210230135-A1 AMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS INSECTICIDE MITSUI CHEMICALS, INC. (JP) 2021-07-29 US disclosed
US-10995081-B2 Amide derivatives, process for preparation thereof and use thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2021-05-04 US disclosed
US-10435385-B2 Amide derivatives, process for preparation thereof and use thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2019-10-08 US disclosed
US-20180134681-A1 AMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS INSECTICIDE MITSUI CHEMICALS, INC. (JP) 2018-05-17 US disclosed
US-9920026-B2 Amide derivatives, process for preparation thereof and use thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2018-03-20 US disclosed
EP-1714958-B9 AMIDE DERIVATIVES, PROCESS FOR PRODUCTION OF THE SAME, AND METHOD FOR APPLICATION THEREOF AS INSECTICIDE MITSUI CHEMICALS AGRO INC (JP) 2017-05-31 EP disclosed
EP-1714958-B1 AMIDE DERIVATIVES, PROCESS FOR PRODUCTION OF THE SAME, AND METHOD FOR APPLICATION THEREOF AS INSECTICIDE MITSUI CHEMICALS AGRO INC (JP) 2016-12-21 EP disclosed
US-20160002198-A1 AMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS INSECTICIDE MITSUI CHEMICALS, INC. (JP) 2016-01-07 US disclosed
US-8563736-B2 Amide derivatives, process for preparation thereof and use thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20120225891-A1 AMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS INSECTICIDE MITSUI CHEMICALS, INC. (JP) 2012-09-06 US disclosed
US-8168825-B2 Amide derivatives, process for preparation thereof and use thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2012-05-01 US disclosed
US-8163804-B2 Composition for preventing harmful organisms MITSUI CHEMICALS, INC. (JP) 2012-04-24 US disclosed
US-20090192167-A1 Insecticidal and fungicidal composition MITSUI CHEMICALS, INC. (JP) 2009-07-30 US disclosed
US-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS MITSUI CHEMICALS, INC (JP) 2009-06-25 US disclosed
EP-1938685-A1 INSECTICIDAL AND BACTERICIDAL COMPOSITION Mitsui Chemicals, Inc. (JP) 2008-07-02 EP disclosed
EP-1913815-A1 PEST CONTROL COMPOSITION Mitsui Chemicals, Inc. (JP) 2008-04-23 EP disclosed
US-20070275980-A1 Amide Derivatives, Process For Preparation Thereof And Use Thereof As Insecticide MITSUI CHEMICALS, INC. (JP) 2007-11-29 US disclosed
EP-1714958-A1 AMIDE DERIVATIVES, PROCESS FOR PRODUCTION OF THE SAME, AND METHOD FOR APPLICATION THEREOF AS INSECTICIDE Mitsui Chemicals, Inc. (JP) 2006-10-25 EP 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 (11 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-20070275980-A1 Amide Derivatives, Process For Preparation Thereof And Use Thereof As Insecticide CYP1A1, CYP4B1, CYP2E1 PTGS1 1694/4885KDM4E 2293/4885ALDH1A1 238/4885
US-20180134681-A1 AMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS INSECTICIDE CYP1A1, CYP4B1, CYP2E1 PTGS1 1694/4885KDM4E 2293/4885ALDH1A1 238/4885
US-20120225891-A1 AMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS INSECTICIDE DDT, CYP4B1, CYP2E1 PTGS1 1773/4885KDM4E 335/4885ALDH1A1 103/4885
US-20160002198-A1 AMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS INSECTICIDE CYP1A1, CYP4B1, CYP2E1 PTGS1 1694/4885KDM4E 2293/4885ALDH1A1 238/4885
US-20090192167-A1 Insecticidal and fungicidal composition NOX3, PRDX1, CYP4X1 PTGS1 2134/4885KDM4E 2012/4885ALDH1A1 1359/4885
US-20230373947-A1 AMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS INSECTICIDE DDT, CYP4B1, CYP2E1 PTGS1 1773/4885KDM4E 335/4885ALDH1A1 103/4885
US-20210230135-A1 AMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS INSECTICIDE DDT, CYP4B1, CYP2E1 PTGS1 1773/4885KDM4E 335/4885ALDH1A1 103/4885
US-10435385-B2 Amide derivatives, process for preparation thereof and use thereof as insecticide DDT, CYP4B1, CYP2E1 PTGS1 1773/4885KDM4E 335/4885ALDH1A1 103/4885
US-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS PRDX3, CYP1A1, GSTA1 PTGS1 1591/4885KDM4E 2037/4885ALDH1A1 406/4885
US-11760742-B2 Amide derivatives, process for preparation thereof and use thereof as insecticide DDT, CYP4B1, CYP2E1 PTGS1 1773/4885KDM4E 335/4885ALDH1A1 103/4885
US-10995081-B2 Amide derivatives, process for preparation thereof and use thereof as insecticide DDT, CYP4B1, CYP2E1 PTGS1 1773/4885KDM4E 335/4885ALDH1A1 103/4885

“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.