SCHEMBL545805

SCHEMBL545805

CN(C)c1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CHEK1 O14757 1/20 0.43
NEK2 P51955 1/20 0.43
LIMK1 P53667 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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
SCHEMBL29713864 1.00 ALDH1A1 (0.44) ALDH1A1MAPTGAATP53TSHR
Hydrochloric Acid SCHEMBL2872399 0.97 MAPT (0.43) ALDH1A1MAPTGAATP53TSHR
SCHEMBL10340767 0.97 MAPT (0.43) ALDH1A1MAPTGAATP53TSHR
SCHEMBL1328337 0.83 ALDH1A1 (0.43) ALDH1A1MAPTGAATP53TSHR
SCHEMBL27821582 0.81 MEN1 (0.42) ALDH1A1MAPTGAATP53TSHR
SCHEMBL413186 0.80 ALDH1A1 (0.44) ALDH1A1MAPTGAATP53TSHR
SCHEMBL4581592 0.79 ALDH1A1 (0.40) ALDH1A1MAPTGAATP53TSHR
SCHEMBL12027990 0.79 ALDH1A1 (0.40) ALDH1A1MAPTGAATP53TSHR
SCHEMBL30172472 0.79 ALDH1A1 (0.40) ALDH1A1MAPTGAATP53TSHR
SCHEMBL9566860 0.79 MAPT (0.46) ALDH1A1MAPTGAATP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111278837-B Hydrocarbon-soluble halogen and thiol/magnesium exchange reagent 雅宝德国有限责任公司 2024-04-09 CN claimed
EP-3688000-B1 HYDROCARBON-SOLUBLE HALOGEN AND THIOLATE/MAGNESIUM EXCHANGE REAGENTS ALBEMARLE GERMANY GMBH (DE) 2023-11-08 EP claimed
CN-113264844-B Method for preparing aryl amide compound by catalyzing carbonylation of aryl tertiary amine without metal catalytic system 宿州学院 2023-05-02 CN claimed
US-11236113-B2 Hydrocarbon-soluble halogen and thiolate/magnesium exchange reagents ALBEMARLE GERMANY GMBH (DE) 2022-02-01 US claimed
CN-112920113-A Beta amyloid-targeted fluorescent probe, preparation method thereof and application thereof in Alzheimer's disease 华南理工大学 2021-06-08 CN claimed
US-20200239496-A1 Hydrocarbon-Soluble Halogen and Thiolate/Magnesium Exchange Reagents Ludwig-Maximilians-Universitat München (DE) 2020-07-30 US claimed
CN-108586536-B 2- [ (2-dimethylamino phenyl) (phenyl) phosphine ] -N, N-dimethylaniline cuprous iodide complex and synthetic method thereof 湖北大学 2020-04-28 CN claimed
CN-110483581-A It is a kind of containing the palladium complex of carborane ligand and its preparation and application between double phosphines SHANGHAI INST TECH 2019-11-22 CN claimed
CN-108690032-A A kind of fluorescent dye and its synthetic method of azophenlyene fused structure 湖南大学 2018-10-23 CN claimed
CN-108586536-A 2- [(2- dimethylaminophenyls) (phenyl) phosphine]-N, N- dimethylaniline cuprous iodide complexs and synthetic method 湖北大学 2018-09-28 CN claimed
EP-2027140-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF 17 ALPHA -ACETOXY-11 BETA -[4-(N,N-DIMETHYL-AMINO)- PHENYL]-19-NORPREGNA-4,9-DIENE-3,20-DIONE AND NEW INTERMEDIATES OF THE PROCESS RICHTER GEDEON NYRT (HU) 2013-03-13 EP claimed
US-8110691-B2 Industrial process for the synthesis of 17α-acetoxy-11β-[4-(N,N-dimethyl-amino)-phenyl]-19-norpregna-4,9-diene-3,20-dione and new intermediates of the process RICHTER GEDEON NYRT. (HU) 2012-02-07 US claimed
US-20090187032-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF 17alpha-ACETOXY-11beta-[4-(N,N-DIMETHYL-AMINO)-PHENYL]-19-NORPREGNA-4,9-DIENE-3,20-DIONE AND NEW INTERMEDIATES OF THE PROCESS RICHTER GEDEON NYRT. (HU) 2009-07-23 US claimed
EP-2027140-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF 17 ALPHA -ACETOXY-11 BETA -[4-(N,N-DIMETHYL-AMINO)- PHENYL]-19-NORPREGNA-4,9-DIENE-3,20-DIONE AND NEW INTERMEDIATES OF THE PROCESS Richter Gedeon NYRT (HU) 2009-02-25 EP claimed
WO-2007144674-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF 17α-ACETOXY-11β-[4-(N,N-DIMETHYL-AMINO)- PHENYL]-19-NORPREGNA-4,9-DIENE-3,20-DIONE AND NEW INTERMEDIATES OF THE PROCESS RICHTER GEDEON NYRT (HU) 2007-12-21 WO claimed
EP-1613640-A2 METHOD FOR PREPARING 17 ALPHA-ACETOXY-11 BETA-(4-N,N-DIMETHYLAMIN OPHENYL)-19-NORPREGNA-4,9-DIENE-3,20-DIONE, INTERMEDIATES THEREOF, AND METHODS FOR THE PREPARATION OF SUCH INTERMEDIATES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-01-11 EP claimed
WO-2004078709-A2 METHOD FOR PREPARING 17 α-ACETOXY-11β-(4-N,N-DIMETHYLAMINOPHENYL)-19-NORPREGNA-4,9-DIENE-3,20-DIONE, INTERMEDIATES THEREOF, AND METHODS FOR THE PREPARATION OF SUCH INTERMEDIATES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-09-16 WO claimed
EP-0505890-B1 Process for producing a styrenic polymer IDEMITSU KOSAN CO (JP) 1997-05-28 EP claimed
US-5576460-A REACTING AM AMINE WITH AN AROMATIC COMPOUND USING A NICKEL OR PALLADIUM CATALYST MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1996-11-19 US claimed
US-4258123-A UNSATURATED COMPOUND, HALOGENATED TRIAZINE, UNSATURATED KETONE FUJI PHOTO FILM CO., LTD. (JP) 1981-03-24 US claimed

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-20200239496-A1 Hydrocarbon-Soluble Halogen and Thiolate/Magnesium Exchange Reagents OR10J3, MSRB3, SLC39A3 ALDH1A1 2020/4885MAPT 2293/4885GAA 4782/4885
US-20090187032-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF 17alpha-ACETOXY-11beta-[4-(N,N-DIMETHYL-AMINO)-PHENYL]-19-NORPREGNA-4,9-DIENE-3,20-DIONE AND NEW INTERMEDIATES OF THE PROCESS HSD17B11, HSD17B7, HSD17B13 ALDH1A1 811/4885MAPT 4428/4885GAA 1208/4885
US-11236113-B2 Hydrocarbon-soluble halogen and thiolate/magnesium exchange reagents MSRB3, OR10J3, GFER ALDH1A1 2179/4885MAPT 2403/4885GAA 4811/4885

“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.