SCHEMBL652671

SCHEMBL652671

CC(Br)C(=O)NCCNC(=O)C(C)Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.50
TSHR P16473 2/20 0.50
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
ALDH1A2 O94788 1/20 0.37
ALDH2 P05091 1/20 0.37
ALDH1A3 P47895 1/20 0.37
ECE1 P42892 3/20 0.36
MMP8 P22894 1/20 0.36
ANPEP P15144 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.34
PTGS2 P35354 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C9 P11712 1/20 0.34
DPP7 Q9UHL4 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
SCHEMBL5519706 0.90 ALDH1A2 (0.50) USP2TSHRKMT2AMEN1ALDH1A1
SCHEMBL11070217 0.87
SCHEMBL22749755 0.87
SCHEMBL3675888 0.87 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1ALDH1A2ALDH2
SCHEMBL11351376 0.85
SCHEMBL22749788 0.85
SCHEMBL6853455 0.84 ECE1 (0.56) ALDH1A1MAPTECE1LMNAPTGS2
SCHEMBL19881229 0.83 TGFBR1 (0.39) USP2TSHRKMT2AMEN1ALDH1A1
SCHEMBL29209648 0.81
SCHEMBL9491609 0.81

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
EP-2013240-B1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO LTD (JP) 2017-05-31 EP disclosed
US-8492511-B2 Process for the preparation of crosslinked nitroxide polymers PIOTREK CO., LTD. (JP) 2013-07-23 US disclosed
US-8258217-B2 Perfluoroalkyl substituted phenol derivatives as surface modifiers BASF SE Ludwigshafen (DE) 2012-09-04 US disclosed
US-8119710-B2 Filled rubber compounds with improved processability BASF SE (DE) 2012-02-21 US disclosed
US-20100317778-A1 Filled Rubber Compounds with Improved Processability CIBA CORPORATION 2010-12-16 US disclosed
US-20100240858-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2010-09-23 US disclosed
US-20090242822-A1 PERFLUOROALKYL SUBSTITUTED PHENOL DERIVATIVES AS SURFACE MODIFIERS BASF SE (DE) 2009-10-01 US disclosed
CN-101490100-A Process for the preparation of crosslinked nitroxide polymers PIOTREK CO LTD (JP) 2009-07-22 CN disclosed
EP-2069279-A1 PERFLUOROALKYL SUBSTITUTED PHENOL DERIVATIVES AS SURFACE MODIFIERS Ciba Holding Inc. (CH) 2009-06-17 EP disclosed
EP-2013240-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2009-01-14 EP disclosed
CN-101268088-A Filled rubber compound with improved processability CIBA HOLDING INC (CH) 2008-09-17 CN disclosed
WO-2008028845-A1 PERFLUOROALKYL SUBSTITUTED PHENOL DERIVATIVES AS SURFACE MODIFIERS CIBA HOLDING INC. (CH) 2008-03-13 WO disclosed
WO-2007115939-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2007-10-18 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 (2 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-20100317778-A1 Filled Rubber Compounds with Improved Processability RER1, RIF1, REV1 USP2 2364/4885TSHR 4186/4885KMT2A 2949/4885
US-20090242822-A1 PERFLUOROALKYL SUBSTITUTED PHENOL DERIVATIVES AS SURFACE MODIFIERS FLOT1, MSR1, FFAR3 USP2 314/4885TSHR 675/4885KMT2A 1440/4885

“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.