SCHEMBL926327

SCHEMBL926327

CC(C)C(=O)C(Br)C(=O)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPT P10636 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
RXFP1 Q9HBX9 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 3/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 2/20 0.49
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HSP90AA1 P07900 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47

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
SCHEMBL9068980 0.85 POLB (0.61) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL14580288 0.81 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL6846422 0.81 MAPT (0.62) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL9157991 0.81 POLB (0.57) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL9158000 0.81 POLB (0.57) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL628621 0.81 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL19425986 0.81 ALDH1A1 (0.85) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL9886 0.81 ALDH1A1 (0.85) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL11659850 0.79 ALDH1A1 (0.81) ALDH1A1MAPTMEN1KMT2ARXFP1
Hydrochloric Acid SCHEMBL9145715 0.79 ALDH1A1 (0.81) ALDH1A1MAPTMEN1KMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020016903-A1 AN IMPROVED AND COMMERCIALLY VIABLE PROCESS FOR PREPARATION OF PYRROLE DERIVATIVES WITH IMPROVED IMPURITY PROFILE & MINIMISATION OF UNIT OPERATIONS. ARCH PHARMALABS LIMITED (IN) 2020-01-23 WO disclosed
EP-2279167-B1 NOVEL PROCESS FOR THE PREPARATION OF 4-FLUORO-ALPHA-Ý2-METHYL -1-OXOPROPYL¨-GAMMA-OXO-N-ß-DIPHENYLBENZENEBUTANAMIDE AND PRODUCTS THEREFROM ARCH PHARMALABS LTD (IN) 2012-09-19 EP disclosed
US-8163959-B2 Reacting 2-halo-1-(4-fluorophenyl)-2-phenone of formula II with 4-methyl-3-oxo-N-phenylpentamide; high purity and good yield; for the synthesis of atorvastatin ARCH PHARMALABS LIMITED (IN) 2012-04-24 US disclosed
US-20110060164-A1 Reacting 2-halo-1-(4-fluorophenyl)-2-phenone of formula II with 4-methyl-3-oxo-N-phenylpentamide; high purity and good yield; for the synthesis of atorvastatin ARCH PHARMALABS LIMITTED (IN) 2011-03-10 US disclosed
EP-2279167-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-FLUORO-ALPHA-Ý2-METHYL -1-OXOPROPYL¨-GAMMA-OXO-N-ß-DIPHENYLBENZENEBUTANAMIDE AND PRODUCTS THEREFROM Arch Pharmalabs Limited (IN) 2011-02-02 EP disclosed
US-7872154-B2 Method for the preparation of 4-fluoro-α-[2-methyl-1-oxopropyl]-y-oxo-n-β-diphenylbenzenebutanamide and products therefrom ARCH PHARMALABS LIMITED (IN) 2011-01-18 US disclosed
US-7872154-B2 Method for the preparation of 4-fluoro-α-[2-methyl-1-oxopropyl]-y-oxo-n-β-diphenylbenzenebutanamide and products therefrom ARCH PHARMALABS LIMITED (IN) 2011-01-18 US disclosed
US-7872154-B2 Method for the preparation of 4-fluoro-α-[2-methyl-1-oxopropyl]-y-oxo-n-β-diphenylbenzenebutanamide and products therefrom ARCH PHARMALABS LIMITED (IN) 2011-01-18 US disclosed
US-20090298907-A1 METHOD FOR THE PREPARATION OF 4-FLUORO-ALPHA-[2-METHYL-1-OXOPROPYL]-y-OXO-N-BETA-DIPHENYLBENZENEBUTANAMIDE AND PRODUCTS THEREFROM ARCH PHARMALABS LIMITED (IN) 2009-12-03 US disclosed
US-20090298907-A1 METHOD FOR THE PREPARATION OF 4-FLUORO-ALPHA-[2-METHYL-1-OXOPROPYL]-y-OXO-N-BETA-DIPHENYLBENZENEBUTANAMIDE AND PRODUCTS THEREFROM ARCH PHARMALABS LIMITED (IN) 2009-12-03 US disclosed
EP-1644319-A4 NOVEL HALO-SUBSTITUTED ACTIVE METHYLENE COMPOUNDS BIOCON LTD (IN) 2007-10-31 EP disclosed
US-20070249865-A1 Process for Preparation of 4-Fluoro-Alpha-[2-Methyl-1-Oxopropyl]-Gamma-Oxo-N-Beta- Diphenylbenzene Butane Amide BIOCON LIMITED (IN) 2007-10-25 US disclosed
US-20070249865-A1 Process for Preparation of 4-Fluoro-Alpha-[2-Methyl-1-Oxopropyl]-Gamma-Oxo-N-Beta- Diphenylbenzene Butane Amide BIOCON LIMITED (IN) 2007-10-25 US disclosed
US-20070249865-A1 Process for Preparation of 4-Fluoro-Alpha-[2-Methyl-1-Oxopropyl]-Gamma-Oxo-N-Beta- Diphenylbenzene Butane Amide BIOCON LIMITED (IN) 2007-10-25 US disclosed
EP-1784384-A1 PROCESS FOR PREPARATION OF 4-FLUORO-ALPHA-[2-METHYL-1-OXOPROPYL]GAMMA-OXO-N-BETA-DIPHENYLBENZENE BUTANE AMIDE Biocon Limited (IN) 2007-05-16 EP disclosed
US-7179942-B2 Halo-substituted active methylene compounds BICON LIMITED 2007-02-20 US disclosed
EP-1644319-A1 NOVEL HALO-SUBSTITUTED ACTIVE METHYLENE COMPOUNDS Biocon Limited (IN) 2006-04-12 EP disclosed
WO-2006021968-A1 PROCESS FOR PREPARATION OF 4-FLUORO-α-[2-METHYL-1-OXOPROPYL]Ϝ-OXO-N-β-DIPHENYLBENZENE BUTANE AMIDE BIOCON LIMITED (IN) 2006-03-02 WO disclosed
US-20050113607-A1 Novel halo-substituted active methylene compounds BIOCON LIMITED 2005-05-26 US disclosed
WO-2004108660-A1 NOVEL HALO-SUBSTITUTED ACTIVE METHYLENE COMPOUNDS BIOCON LIMITED (IN) 2004-12-16 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 (4 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-20050113607-A1 Novel halo-substituted active methylene compounds MRPL21, MAGI3, MGMT ALDH1A1 1127/4885MAPT 4068/4885MEN1 506/4885
US-20070249865-A1 Process for Preparation of 4-Fluoro-Alpha-[2-Methyl-1-Oxopropyl]-Gamma-Oxo-N-Beta- Diphenylbenzene Butane Amide CYP8B1, FGB, FLNB ALDH1A1 731/4885MAPT 2067/4885MEN1 3582/4885
US-20090298907-A1 METHOD FOR THE PREPARATION OF 4-FLUORO-ALPHA-[2-METHYL-1-OXOPROPYL]-y-OXO-N-BETA-DIPHENYLBENZENEBUTANAMIDE AND PRODUCTS THEREFROM NEFM, BPGM, HADHB ALDH1A1 314/4885MAPT 2683/4885MEN1 3822/4885
US-20110060164-A1 Reacting 2-halo-1-(4-fluorophenyl)-2-phenone of formula II with 4-methyl-3-oxo-N-phenylpentamide; high purity and good yield; for the synthesis of atorvastatin HMGCR, TGFB1, HSD17B12 ALDH1A1 1023/4885MAPT 2352/4885MEN1 3079/4885

“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.