SCHEMBL2457052

SCHEMBL2457052

FC(F)(F)c1ccc(N(Cl)Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
KIF11 P52732 7/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
MGLL Q99685 1/20 0.41
TAAR1 Q96RJ0 1/20 0.38
AHR P35869 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL10585602 0.80 KIF11 (0.43) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL4298574 0.78 MGLL (0.50) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL29229878 0.77 KIF11 (0.41) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL10702685 0.77 ALDH1A1 (0.37) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL63468 0.76 ALDH1A1 (0.67) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL6821296 0.76 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL10700885 0.74 AKR1C3 (0.43) KIF11
SCHEMBL5535744 0.74 CES2 (0.41) ALDH1A1TSHRCES2
SCHEMBL2056226 0.74 SLC2A1 (0.58) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL13367596 0.74 KIF11 (0.50) ALDH1A1TSHRKIF11CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542531-A1 PROCESS FOR SYNTHESIS OF FIPRONIL Gharda, Keki Hormusji (IN) 2013-01-09 EP claimed
WO-2011107998-A1 PROCESS FOR SYNTHESIS OF FIPRONIL GHARDA KEKI HORMUSJI (IN) 2011-09-09 WO claimed
US-10202352-B2 Process for preparation of aminopyrazole GHARDA CHEMICALS LIMITED (IN) 2019-02-12 US disclosed
US-20180282284-A1 PROCESS FOR PREPARATION OF AMINOPYRAZOLE GHARDA CHEMICALS LIMITED (IN) 2018-10-04 US disclosed
WO-2017060787-A1 PROCESS FOR PREPARATION OF AMINOPYRAZOLE GHARDA CHEMICALS LIMITED (IN) 2017-04-13 WO disclosed
CN-102093295-A Synthesis method of insecticide Fipronil JIANGSU CHANGQING AGRICULTURAL AND CHEMICAL CO LTD 2011-06-15 CN disclosed
CN-100519510-C Process for the preparation of a synthetic intermediate for pesticides BAYER CROPSCIENCE SA (FR) 2009-07-29 CN disclosed
CN-1705632-A Novel Preparation Method of Pesticide Synthesis Intermediate BAYER CROPSCIENCE SA (FR) 2005-12-07 CN disclosed
EP-1259476-B1 CHLORINATION OF AN ANILINE IN ORTHO IN A HYDROFLUORIC MEDIUM RHODIA CHIMIE SA (FR) 2005-10-05 EP disclosed
US-6747175-B2 EXCHANGING A CHLORINE ATOM AND A FLUORINE ATOM IN A BENZYL POSITION; RING CHLORINATION RHODIA CHIMIE (FR) 2004-06-08 US disclosed
US-20030130542-A1 Chlorination of an aniline in a hydrofluoric medium RHODIA CHIMIE (FR) 2003-07-10 US disclosed
EP-1259476-A1 CHLORINATION OF AN ANILINE IN ORTHO IN A HYDROFLUORIC MEDIUM RHODIA CHIMIE (FR) 2002-11-27 EP disclosed
WO-2001064623-A1 CHLORINATION OF AN ANILINE IN ORTHO IN A HYDROFLUORIC MEDIUM RHODIA CHIMIE (FR) 2001-09-07 WO disclosed
US-5616810-A DEALKYLATION BY REACTING AN N-ALKYL OF N,N-DIALKYL ANILINE WITH AMMONIA OR A PRIMARY OR SECONDARY AMINE USING A PYRIDINE SALT CATALYST RHONE-POULENC CHIMIE (FR) 1997-04-01 US disclosed
US-5401882-A Reaction of halobenzenes with dialkyl amide to form dialkyl anilines, dealkylation RHONE-POULENC CHIMIE (FR) 1995-03-28 US disclosed
EP-0385809-A1 Pesticidal 3-cyano-5-alkoxy-1-arylpyrazoles RHONE-POULENC AGROCHIMIE (FR) 1990-09-05 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 (3 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-10202352-B2 Process for preparation of aminopyrazole CYP3A4, CYP3A5, CYP4F3 ALDH1A1 1320/4885TSHR 2954/4885KIF11 1703/4885
US-20180282284-A1 PROCESS FOR PREPARATION OF AMINOPYRAZOLE CYP3A4, CYP3A5, CYP4F3 ALDH1A1 1320/4885TSHR 2954/4885KIF11 1703/4885
US-20030130542-A1 Chlorination of an aniline in a hydrofluoric medium PEX3, PHF13, ATL3 ALDH1A1 1409/4885TSHR 2492/4885KIF11 1102/4885

“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.