SCHEMBL1769094

SCHEMBL1769094

Nc1cc(C(F)(F)F)cc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.42
GABRA2 P47869 5/20 0.41
GABRB2 P47870 5/20 0.41
GABRP O00591 4/20 0.41
GABRD O14764 4/20 0.41
GABRA1 P14867 4/20 0.41
GABRB1 P18505 4/20 0.41
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
GABRA5 P31644 4/20 0.41
GABRA3 P34903 4/20 0.41
GABRA4 P48169 4/20 0.41
GABRE P78334 4/20 0.41
GABRA6 Q16445 4/20 0.41
GABRG1 Q8N1C3 4/20 0.41
GABRG3 Q99928 4/20 0.41
GABRQ Q9UN88 4/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL31304780 1.00 PTPN5 (0.42) PTPN5GABRA2GABRB2GABRPGABRD
SCHEMBL3131496 0.88 PTPN5 (0.47) PTPN5GABRA2GABRB2GABRPGABRD
SCHEMBL981089 0.83 ALDH1A1 (0.46) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL904486 0.82 ALDH1A1 (0.48) PTPN5GABRA2GABRB2GABRPGABRD
SCHEMBL29746198 0.82 ALDH1A1 (0.48) PTPN5GABRA2GABRB2GABRPGABRD
SCHEMBL9339616 0.80 PTPN5 (0.41) PTPN5GABRA2GABRB2GABRPGABRD
SCHEMBL7748802 0.80 PTPN5 (0.41) PTPN5GABRA2GABRB2GABRPGABRD
SCHEMBL11055186 0.80 PTPN5 (0.41) PTPN5GABRA2GABRB2GABRPGABRD
SCHEMBL9610071 0.80 RAPGEF4 (0.42) PTPN5GABRA2GABRB2GABRPGABRD
SCHEMBL22369006 0.78 ALDH1A1 (0.42) PTPN5GABRA2GABRB2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107311873-B Method for preparing 2, 6-dichloro-4-trifluoromethylaniline with 99% content LIANYUNGANG AVILIVE CHEMICAL CO., LTD. (CN) 2019-12-10 CN disclosed
EP-2542531-B1 PROCESS FOR SYNTHESIS OF FIPRONIL GHARDA KEKI HORMUSJI (IN) 2014-09-17 EP disclosed
US-8507693-B2 Process for synthesis of fipronil Gharda Medical and Advanced Technologies Foundation (IN) 2013-08-13 US disclosed
US-20130030190-A1 PROCESS FOR SYNTHESIS FIPRONIL Gharda Medical and Advanced Technologies Foundation (IN) 2013-01-31 US disclosed
EP-2542531-A1 PROCESS FOR SYNTHESIS OF FIPRONIL Gharda, Keki Hormusji (IN) 2013-01-09 EP disclosed
WO-2011107998-A1 PROCESS FOR SYNTHESIS OF FIPRONIL GHARDA KEKI HORMUSJI (IN) 2011-09-09 WO disclosed
WO-2011058577-A1 PROCESS FOR SYNTHESIZING POLYHALOGENATED PERHALOALKYLANILINE COMPOUNDS GHARDA KEKI HORMUSJI (IN) 2011-05-19 WO disclosed
WO-2011058576-A1 PROCESS FOR PREPARING POLYHALOGENATED PERHALOALKYLANILINE GHARDA KEKI HORMUSJI (IN) 2011-05-19 WO disclosed
US-5109004-A Cyano phenyl-substituted with heterocylic compound; insecticides, miticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-28 US disclosed
US-5079251-A Insecticides, pesticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-07 US disclosed
US-RE31455-E 2-Chloro-a,a,a-trifluoro-p-tolyl-3-carboxy-4-nitrophenyl ether; agronomical; selective weed control ROHM AND HAAS COMPANY (US) 1983-12-06 US disclosed
US-4415354-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES ROHM AND HAAS COMPANY (US) 1983-11-15 US disclosed
US-4358308-A PREEMERGENT AND POSTEMERGENT APPLICATION ROHM AND HAAS COMPANY (US) 1982-11-09 US disclosed
US-4350522-A Herbicidal 4-trifluoromethyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1982-09-21 US disclosed
US-4330324-A PREEMERGENCE APPLICATION ROHM AND HAAS COMPANY (US) 1982-05-18 US disclosed
US-4220468-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1980-09-02 US disclosed
US-4185995-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1980-01-29 US disclosed
US-4093446-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1978-06-06 US disclosed
US-4063929-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1977-12-20 US disclosed
US-4046798-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1977-09-06 US 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 (1 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-20130030190-A1 PROCESS FOR SYNTHESIS FIPRONIL FIP1L1, CYP2F1, PFAS PTPN5 4463/4885GABRA2 1153/4885GABRB2 822/4885

“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.