SCHEMBL4320069

SCHEMBL4320069

O=C(O)C(=O)N(Cc1cccc(Oc2ccccc2)c1)Cc1c(Br)cc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.45
ALOX5 P09917 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FDFT1 P37268 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KLK7 P49862 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL4325815 0.95 NPC1 (0.45) PTGESNPC1RAB9AFDFT1MEN1
SCHEMBL1857107 0.94 MEN1 (0.44) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL1852719 0.93 ESRRG (0.43) PTGESNPC1RAB9AFDFT1MEN1
SCHEMBL1852654 0.92 LTA4H (0.45) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL1855303 0.90 PTGES (0.46) PTGESALOX5NPC1RAB9AFDFT1
SCHEMBL1855588 0.87 MEN1 (0.52) PTGESALOX5NPC1RAB9AFDFT1
SCHEMBL1856369 0.87 RAB9A (0.48) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL1855243 0.85 MEN1 (0.41) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL1854184 0.85 NPC1 (0.46) PTGESNPC1RAB9AFDFT1MEN1
SCHEMBL1858612 0.84 CETP (0.45) PTGESFDFT1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US claimed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 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 (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-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 PTGES 460/4885ALOX5 283/4885NPC1 2286/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 PTGES 1550/4885ALOX5 1837/4885NPC1 2939/4885

“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.