SCHEMBL5334380

SCHEMBL5334380

N#Cc1c(F)c(F)c(Cl)c(C#N)c1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPV4 Q9HBA0 1/20 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
SCHEMBL10825637 0.92 MEN1 (0.46) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL28398409 0.92 MEN1 (0.46) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL5674844 0.90 MEN1 (0.57) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL19021269 0.86 MEN1 (0.50) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL5675101 0.86 MEN1 (0.58) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL6446552 0.84 MEN1 (0.43) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL5673651 0.84 ALDH1A1 (0.43) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL28712246 0.84 MEN1 (0.57) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL5674848 0.84 MEN1 (0.50) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL1793668 0.83 MEN1 (0.48) MEN1ALDH1A1TP53CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217827-B2 Halogen-containing aromatic compound NIPPON SHOKUBAI CO., LTD. (JP) 2007-05-15 US disclosed
US-7132561-B2 Process for producing fluorinated dicyanobenzene SHOWA DENKO K.K. (JP) 2006-11-07 US disclosed
EP-1324977-B1 PROCESS FOR PRODUCING FLUORINATED DICYANOBENZENE SHOWA DENKO KK (JP) 2006-02-01 EP disclosed
CN-1219775-C Halogen contained aromatic compound NIPPON CATALYTIC CHEM IND (JP) 2005-09-21 CN disclosed
US-6916959-B2 Halogen-containing aromatic compound NIPPON SHOKUBAI CO., LTD. (JP) 2005-07-12 US disclosed
US-20050090691-A1 Halogen-containing aromatic compound NIPPON SHOKUBAI CO., LTD., A JAPAN CORPORATION 2005-04-28 US disclosed
EP-1256564-B1 Halogen-containing aromatic compound NIPPON CATALYTIC CHEM IND (JP) 2004-07-28 EP disclosed
US-20040030173-A1 Process for producing fluorinated dicyanobenzene SHOWA DENKO K.K. (JP) 2004-02-12 US disclosed
EP-1324977-A2 PROCESS FOR PRODUCING FLUORINATED DICYANOBENZENE Showa Denko K.K. (JP) 2003-07-09 EP disclosed
US-20030018204-A1 Halogen-containing aromatic compound NIPPON SHOKUBAI CO., LTD. (JP) 2003-01-23 US disclosed
CN-1385427-A Halogen contained aromatic compound NIPPON CATALYTIC CHEM IND (JP) 2002-12-18 CN disclosed
EP-1256564-A1 Halogen-containing aromatic compound Nippon Shokubai Co., Ltd. (JP) 2002-11-13 EP disclosed
WO-2002028822-A2 PROCESS FOR PRODUCING FLUORINATED DICYANOBENZENE SHOWA DENKO K.K. (JP) 2002-04-11 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 (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-20040030173-A1 Process for producing fluorinated dicyanobenzene FLNB, TDO2, HRH4 MEN1 2618/4885ALDH1A1 3567/4885TP53 454/4885
US-20050090691-A1 Halogen-containing aromatic compound TYR, AFF4, DDT MEN1 492/4885ALDH1A1 1243/4885TP53 1531/4885
US-20030018204-A1 Halogen-containing aromatic compound TYR, AFF4, DDT MEN1 492/4885ALDH1A1 1243/4885TP53 1531/4885

“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.