SCHEMBL1374953

SCHEMBL1374953

NC(=O)c1ccc(F)c2c1C=CCO2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
DGAT1 O75907 1/20 0.37
PARP1 P09874 7/20 0.36
GYS1 P13807 1/20 0.32
PARP10 Q53GL7 2/20 0.31
PARP15 Q460N3 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL5762471 0.88 HTR1A (0.39) HTR1ADGAT1PARP1PARP10PARP15
SCHEMBL5763798 0.86 GYS1 (0.35) HTR1AGYS1CES2CES1
SCHEMBL5567144 0.81 ABL1 (0.35) GYS1CES2CES1SLC6A4
SCHEMBL6436506 0.78 GYS1 (0.33) GYS1
SCHEMBL1362915 0.77 CA1 (0.34) GYS1
SCHEMBL5760894 0.76 ALB (0.33) GYS1CES2CES1
SCHEMBL1477045 0.72 RXFP1 (0.35)
SCHEMBL5760523 0.71 PARP1 (0.42) PARP1
SCHEMBL5565931 0.70 HTR1A (0.38) HTR1ADGAT1PARP1
SCHEMBL5322267 0.68 PARP1 (0.50) PARP1

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
JP-4705307-B2 2011-06-22 JP claimed
US-7265251-B2 Process for the preparation of nitroalkenes ZAMBON GROUP S.P.A. (IT) 2007-09-04 US claimed
US-20060063953-A1 Process for the preparation of nitroalkenes ZAMBON GROUP S.P.A (IT) 2006-03-23 US claimed
CN-1232480-C Process for the preparation of nitroalkenes ZAMBON SPA (IT) 2005-12-21 CN claimed
EP-1294658-B1 PROCESS FOR THE PREPARATION OF NITROALKENES ZAMBON SPA (IT) 2005-03-02 EP claimed
JP-2004501878-A 2004-01-22 JP claimed
US-20040006248-A1 Process for the preparation of nitroalkenes ZAMBON GROUP S.P.A (IT) 2004-01-08 US claimed
CN-1438977-A Process for the preparation of nitroalkenes ZAMBON SPA (IT) 2003-08-27 CN claimed
EP-1294658-A1 PROCESS FOR THE PREPARATION OF NITROALKENES ZAMBON GROUP S.p.A. (IT) 2003-03-26 EP claimed
WO-2002000575-A1 PROCESS FOR THE PREPARATION OF NITROALKENES ZAMBON GROUP S.P.A. (IT) 2002-01-03 WO claimed
US-7265251-B2 Process for the preparation of nitroalkenes ZAMBON GROUP S.P.A. (IT) 2007-09-04 US disclosed
CN-1860112-A 3-amino chroman and 2-amino tetralin derivatives WYETH CORP (US) 2006-11-08 CN disclosed
EP-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 EP disclosed
US-20060063953-A1 Process for the preparation of nitroalkenes ZAMBON GROUP S.P.A (IT) 2006-03-23 US disclosed
CN-1232480-C Process for the preparation of nitroalkenes ZAMBON SPA (IT) 2005-12-21 CN disclosed
EP-0975618-B1 a new process for the preparation of 3-N,N-dicycobutylamino-8-fluoro-3,4-dihydro-2H-1-benzopyran-5-carboxamide ASTRAZENECA AB (SE) 2001-10-24 EP disclosed
US-6197978-B1 ESTERIFICATION, PROPARYLATION, HEATING, HYDROLYSIS, ETHERIFICATION, REDUCTION, ALKYLATION, CYCLIZATION, AMINATION ASTRA AKTIEBOLAG (SE) 2001-03-06 US disclosed
CN-1259941-A new method ASTRA AB (SE) 2000-07-12 CN disclosed
EP-0975618-A1 A NEW PROCESS Astra Aktiebolag (SE) 2000-02-02 EP disclosed
WO-1998046586-A1 A NEW PROCESS ASTRA AKTIEBOLAG (SE) 1998-10-22 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-20040006248-A1 Process for the preparation of nitroalkenes NOS1, NOS2, NOS3 HTR1A 1174/4885DGAT1 1469/4885PARP1 1956/4885
US-20060063953-A1 Process for the preparation of nitroalkenes NOS2, NOS1, CBR1 HTR1A 1534/4885DGAT1 1921/4885PARP1 2253/4885

“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.