SCHEMBL4934710

SCHEMBL4934710

F[B-](F)(F)F.N#[N+]c1ccc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 2/20 0.41
NCEH1 Q6PIU2 1/20 0.41
HNF4A P41235 3/20 0.40
HPRT1 P00492 1/20 0.40
HSP90AA1 P07900 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
S100A4 P26447 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
RXRA P19793 1/20 0.33
CASP6 P55212 1/20 0.33
ALOX5 P09917 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
SCHEMBL4934715 0.76 ALDH1A1 (0.49) TSHRCYP3A4ALDH1A1HNF4AHPRT1
SCHEMBL31600970 0.75 HSD17B10 (0.41) TSHRALDH1A1HPRT1MAPTTDP1
SCHEMBL1087076 0.75 CTSB (0.49) TSHRCYP3A4ALDH1A1HPRT1HSP90AA1
SCHEMBL27830330 0.74 CTSB (0.47) TSHRCYP3A4ALDH1A1HPRT1HSP90AA1
SCHEMBL7936527 0.72 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HNF4A
SCHEMBL241071 0.71 ALDH1A1 (0.39) TSHRCYP3A4ALDH1A1HPRT1TDP1
SCHEMBL31619924 0.71 ALDH1A1 (0.39) TSHRCYP3A4ALDH1A1HPRT1TDP1
SCHEMBL534832 0.70 ALDH1A1 (0.44) TSHRALDH1A1CRHBPCRHR2MEN1
SCHEMBL8043355 0.70 ALDH1A1 (0.44) TSHRALDH1A1CRHBPCRHR2MEN1
SCHEMBL187452 0.70 TSHR (0.65) TSHRCYP3A4ALDH1A1NCEH1HNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080087550-A1 PROCESS FOR FORMING ORGANIC FILMS ON ELECTRICALLY CONDUCTIVE OR SEMI-CONDUCTIVE SURFACES USING AQUEOUS SOLUTIONS IN TWO STEPS COMMISSARIAT A L' ENERGIE ATOMIQUE, Etablissement Public a caractere Industriel et Commercial (FR) 2008-04-17 US claimed
US-8206570-B2 Includes electrolysis of a solution containing an adhesion primer in contact with a surface followed by a reaction at the surface obtained, of a solution containing a protic solvent, and a radically polymerizable monomer COMMISSARIAT A L'ENERGIE ATOMIQUE, ETABLISSEMENT PUBLIC A CARACTERE INDUSTRIEL ET COMMERCIAL (FR) 2012-06-26 US disclosed
US-20080087550-A1 PROCESS FOR FORMING ORGANIC FILMS ON ELECTRICALLY CONDUCTIVE OR SEMI-CONDUCTIVE SURFACES USING AQUEOUS SOLUTIONS IN TWO STEPS COMMISSARIAT A L' ENERGIE ATOMIQUE, Etablissement Public a caractere Industriel et Commercial (FR) 2008-04-17 US disclosed
US-7279475-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-09 US disclosed
US-6872726-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-03-29 US disclosed
US-20050032797-A1 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
US-6825184-B2 FOR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-11-30 US disclosed
US-20040077647-A1 Cytokine inhibitors, antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-04-22 US disclosed
US-20030162968-A1 1,4-Disubstituted benzo-fused urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-28 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 (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-20040077647-A1 Cytokine inhibitors, antiinflammatory agents IL1B, IL1A, TNF TSHR 3591/4885CYP3A4 1837/4885ALDH1A1 252/4885
US-20050032797-A1 Fluorinated di-aryl urea compounds IL1B, MPO, IL1A TSHR 1734/4885CYP3A4 811/4885ALDH1A1 338/4885
US-20030162968-A1 1,4-Disubstituted benzo-fused urea compounds NFKBIA, MPO, RELA TSHR 4763/4885CYP3A4 174/4885ALDH1A1 89/4885

“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.