SCHEMBL3145040

SCHEMBL3145040

O=[N+]([O-])c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.51
CA1 P00915 2/20 0.51
CA5A P35218 1/20 0.51
CA9 Q16790 1/20 0.51
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 2/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KIF11 P52732 2/20 0.41
LMNA P02545 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
CES1 P23141 1/20 0.39
HSPB1 P04792 1/20 0.39
RORC P51449 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL669783 0.94 CA1 (0.53) CA2CA1CA5ACA9HSD11B1
SCHEMBL27171605 0.92 CA1 (0.55) CA2CA1CA5ACA9HSD11B1
SCHEMBL4973441 0.86 CA1 (0.56) CA2CA1CA5ACA9HSD11B1
SCHEMBL445417 0.86 CA1 (0.56) CA2CA1CA5ACA9HSD11B1
SCHEMBL10353208 0.81 CA1 (0.45) CA2CA1CA5ACA9HSD11B1
SCHEMBL10353209 0.80 CA1 (0.44) CA2CA1CA5ACA9HSD11B1
SCHEMBL9188310 0.79 CYP19A1 (0.43) CA2CA1CA5ACA9HSD11B1
SCHEMBL9187755 0.79 CYP19A1 (0.43) CA2CA1CA5ACA9HSD11B1
SCHEMBL24710717 0.79 TSHR (0.52) ALDH1A1ACHEKIF11LMNACES1
SCHEMBL16046946 0.78 CA1 (0.56) CA2CA1CA5ACA9HSD11B1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP disclosed
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP disclosed
US-7105682-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-12 US disclosed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 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 (6 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC CA2 3902/4885CA1 4610/4885CA5A 691/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CA2 4354/4885CA1 4831/4885CA5A 828/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CA2 4354/4885CA1 4831/4885CA5A 828/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CA2 2941/4885CA1 3642/4885CA5A 394/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CA2 2941/4885CA1 3642/4885CA5A 394/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 CA2 3239/4885CA1 4469/4885CA5A 967/4885

“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.