SCHEMBL5746321

SCHEMBL5746321

N#CCCNNc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
MAPK1 P28482 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
THRB P10828 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MRGPRX4 Q96LA9 2/20 0.32
IL1B P01584 1/20 0.32
HTT P42858 2/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31

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
Hydrochloric Acid SCHEMBL6578636 0.97 GAA (0.33) GAAMAPK1RXFP1THRBKDM4E
SCHEMBL9822907 0.81 THRB (0.31) THRB
SCHEMBL8767328 0.79 GABRA2 (0.41) GABRB3GABRA2GABRB2ALDH1A1
SCHEMBL10497056 0.78 THRB (0.33) THRBHTT
SCHEMBL3326974 0.72 RAPGEF3 (0.34) GAAMAPK1RXFP1MRGPRX4ALDH1A1
SCHEMBL5746326 0.70 MRGPRX4 (0.36) KDM4EMRGPRX4HTTALDH1A1MAPT
SCHEMBL11279678 0.70 AR (0.41) GAAMAPK1THRBHTTALDH1A1
SCHEMBL5795159 0.69 TRPV4 (0.52) MRGPRX4
SCHEMBL11279682 0.68 THRB (0.36) GAATHRBHTTALDH1A1
SCHEMBL5744932 0.68 MRGPRX4 (0.34) GAAMAPK1RXFP1KDM4EMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788484-A1 2-CHLORO-N- 1-(2,6-DICHLORO-4-DIFLUOROMETHYL-PHENYL)-1H-PYRAZOL-5-YL]-PROPANAMIDE AND A METHOD OF PRODUCING THE SAME BAYER AG (DE) 1997-08-13 EP claimed
WO-1996012707-A1 2-CHLORO-N-[1-(2,6-DICHLORO-4-DIFLUOROMETHYL-PHENYL)-1H-PYRAZOL-5-YL]-PROPANAMIDE AND A METHOD OF PRODUCING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 1996-05-02 WO claimed
US-7094906-B2 Processes for preparing pesticidal intermediates Basf Agro B.V. Arnthem (NL) Wädenswil-Branch (CH) 2006-08-22 US disclosed
EP-0952145-B1 Process for preparing pesticidal intermediates BASF AGRO BV (CH) 2005-10-05 EP disclosed
EP-1073627-B1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES BAYER AGRICULTURE LTD (GB) 2004-12-01 EP disclosed
US-20040198985-A1 Processes for preparing pesticidal intermediates AVENTIS AGRICULTURE LTD. (GB) 2004-10-07 US disclosed
CN-1158249-C Processes for preparing pesticidal intermediates ��������ũҵ�� 2004-07-21 CN disclosed
US-6673956-B2 INTERMEDIATES (PARTICULARLY 2-(ARYLHYDRAZINO)SUCCINONITRILE COMPOUNDS AND 3-(ARYLHYDRAZONO)PROPIONITRILE DERIVATIVES FOR PESTICIDES, BY REACTING DIALKOXYPROPIONITRILE WITH AN ACID ADDITION SALT OF ARYLHYDRAZINE AVENTIS AGRICULTURE LTD. (GB) 2004-01-06 US disclosed
US-20020128485-A1 Processes for preparing pesticidal intermediates MERIAL LIMITED 2002-09-12 US disclosed
US-6392081-B1 REACTING A NITRILE COMPOUND CONTAINING ACTAL GROUPS WITH ARYLHYDRAZINE; OXIDATION AVENTIS AGRICULTURE LTD. (GB) 2002-05-21 US disclosed
CN-1297429-A Process for preparing pesticidal intermediates AFANTI AGRICULTURE LTD (GB) 2001-05-30 CN disclosed
EP-1073627-A1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES AVENTIS AGRICULTURE LTD. (GB) 2001-02-07 EP disclosed
EP-1070748-A1 Powder coating compositions, their preparation and use E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-01-24 EP disclosed
US-6114489-A POWDER COATING COMPOSITIONS CONTAINING NOVEL ALIPHATIC HYPERBRANCHED POLYESTER POLYMERS, WHICH FUNCTION EITHER AS POLYMERIC CROSSLINKERS OR AS FLOW AND LEVELING AGENTS HERBERTS GMBH (DE) 2000-09-05 US disclosed
WO-1999054288-A1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES AVENTIS AGRICULTURE LTD. (GB) 1999-10-28 WO disclosed
EP-0952145-A1 Process for preparing pesticidal intermediates RHONE-POULENC AGRICULTURE LTD. (GB) 1999-10-27 EP disclosed
EP-0788484-A1 2-CHLORO-N- 1-(2,6-DICHLORO-4-DIFLUOROMETHYL-PHENYL)-1H-PYRAZOL-5-YL]-PROPANAMIDE AND A METHOD OF PRODUCING THE SAME BAYER AG (DE) 1997-08-13 EP disclosed
WO-1996012707-A1 2-CHLORO-N-[1-(2,6-DICHLORO-4-DIFLUOROMETHYL-PHENYL)-1H-PYRAZOL-5-YL]-PROPANAMIDE AND A METHOD OF PRODUCING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 1996-05-02 WO disclosed
EP-0303153-A2 1-Aryl pyrazoles BAYER AG (DE) 1989-02-15 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 (2 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-20040198985-A1 Processes for preparing pesticidal intermediates SFXN3, SFXN1, CYP4F3 GAA 4661/4885MAPK1 2497/4885RXFP1 1869/4885
US-20020128485-A1 Processes for preparing pesticidal intermediates CBR3, HCN1, SF3A3 GAA 4790/4885MAPK1 1992/4885RXFP1 1120/4885

“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.