SCHEMBL8242543

SCHEMBL8242543

O=C(O)CC(=O)N(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTGIR P43119 5/20 0.42
PTGDR Q13258 2/20 0.42
NR3C2 P08235 1/20 0.41
AGTR2 P50052 1/20 0.39
FOLH1 Q04609 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KCNH2 Q12809 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL5724902 0.85 PTGIR (0.38) HTTALDH1A1PTGIRPTGDRNR3C2
SCHEMBL5031160 0.82 ALDH1A1 (0.42) HTTNPC1ALDH1A1POLBRAB9A
SCHEMBL11541242 0.81 ALDH1A1 (0.63) HTTNPC1ALDH1A1POLBRAB9A
SCHEMBL10364096 0.81 HDAC3 (0.44) ALDH1A1ESR1ESR2KCNH2
SCHEMBL107191 0.81 FOLH1 (0.52) HTTALDH1A1AGTR2FOLH1
SCHEMBL8243336 0.79 ALDH1A1 (0.41) HTTALDH1A1POLBKMT2ANPSR1
SCHEMBL8245878 0.78 NPC1 (0.64) HTTNPC1ALDH1A1POLBRAB9A
SCHEMBL5319072 0.76 ESR1 (0.43) HTTNPC1ALDH1A1POLBRAB9A
SCHEMBL1443806 0.76 TP53 (0.52) HTTNPC1ALDH1A1POLBRAB9A
SCHEMBL10698132 0.74 POLB (0.39) HTTNPC1ALDH1A1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0256909-B1 N,N-BIS-(4-FLUOROPHENYL) CARBAMOYL ACETOHYDROXAMIC ACID AND PHARMACEUTICAL COMPOSITION CONTAINING IT LABORATOIRE L. LAFON Société anonyme dite: (FR) 1990-01-31 EP claimed
EP-0256909-A1 N,N-bis-(4-fluorophenyl) carbamoyl acetohydroxamic acid and pharmaceutical composition containing it LABORATOIRE L. LAFON Société anonyme dite: (FR) 1988-02-24 EP claimed
US-8883816-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-11-11 US disclosed
US-8883816-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-11-11 US disclosed
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2014-02-13 US disclosed
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2014-02-13 US disclosed
US-8546417-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2013-10-01 US disclosed
US-8546417-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2013-10-01 US disclosed
US-20120309778-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2012-12-06 US disclosed
US-20120309778-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2012-12-06 US disclosed
US-8193208-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-06-05 US disclosed
US-8193208-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-06-05 US disclosed
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof EURO-CELTIQUE S.A. (LU) 2009-05-07 US disclosed
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof EURO-CELTIQUE S.A. (LU) 2009-05-07 US disclosed
WO-2007028638-A1 FUSED AND SPIROCYCLE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2007-03-15 WO disclosed
EP-0256909-B1 N,N-BIS-(4-FLUOROPHENYL) CARBAMOYL ACETOHYDROXAMIC ACID AND PHARMACEUTICAL COMPOSITION CONTAINING IT LABORATOIRE L. LAFON Société anonyme dite: (FR) 1990-01-31 EP disclosed
EP-0256909-A1 N,N-bis-(4-fluorophenyl) carbamoyl acetohydroxamic acid and pharmaceutical composition containing it LABORATOIRE L. LAFON Société anonyme dite: (FR) 1988-02-24 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-20120309778-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C HTT 2178/4885NPC1 443/4885ALDH1A1 1044/4885
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C HTT 2178/4885NPC1 443/4885ALDH1A1 1044/4885
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C HTT 2178/4885NPC1 443/4885ALDH1A1 1044/4885

“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.