SCHEMBL4934715

SCHEMBL4934715

F[B-](F)(F)F.N#[N+]c1c([N+](=O)[O-])ccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPRT1 P00492 1/20 0.46
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 2/20 0.41
CASP6 P55212 1/20 0.40
CTSB P07858 2/20 0.39
CYP3A4 P08684 1/20 0.38
HNF4A P41235 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TNF P01375 1/20 0.35
NOD1 Q9Y239 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
AR P10275 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL19278936 0.94 ALDH1A1 (0.55) ALDH1A1HPRT1TDP1TSHRCASP6
SCHEMBL4934710 0.76 TSHR (0.51) ALDH1A1HPRT1TDP1TSHRCASP6
SCHEMBL1087076 0.75 CTSB (0.49) ALDH1A1HPRT1TDP1TSHRCASP6
Nitrogen SCHEMBL1087079 0.74 ALDH1A1 (0.76) ALDH1A1HPRT1TDP1TSHRCASP6
SCHEMBL27830330 0.74 CTSB (0.47) ALDH1A1HPRT1TDP1TSHRCASP6
SCHEMBL28135340 0.72 CYP2A6 (0.47) ALDH1A1HPRT1TDP1TSHRCYP3A4
SCHEMBL11202943 0.72 PTPN22 (0.47) ALDH1A1TDP1TSHRMAPTKDM4E
SCHEMBL9187297 0.72 ALDH1A1 (0.60) ALDH1A1HPRT1TDP1TSHRCASP6
SCHEMBL5309014 0.72 ALDH1A1 (0.60) ALDH1A1HPRT1TDP1TSHRCASP6
SCHEMBL534832 0.70 ALDH1A1 (0.44) ALDH1A1TDP1TSHRMEN1KMT2A

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 ALDH1A1 252/4885HPRT1 1959/4885TDP1 3795/4885
US-20050032797-A1 Fluorinated di-aryl urea compounds IL1B, MPO, IL1A ALDH1A1 338/4885HPRT1 2136/4885TDP1 3034/4885
US-20030162968-A1 1,4-Disubstituted benzo-fused urea compounds NFKBIA, MPO, RELA ALDH1A1 89/4885HPRT1 853/4885TDP1 1233/4885

“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.