SCHEMBL4325815

SCHEMBL4325815

O=C(O)C(=O)N(Cc1cccc(Oc2ccccc2)c1)Cc1c(Br)cc(C(=O)NCCc2ccc(Oc3ccccc3)cc2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
PLAAT3 P53816 2/20 0.44
PLAAT5 Q96KN8 2/20 0.44
PLAAT2 Q9NWW9 2/20 0.44
PLAAT4 Q9UL19 2/20 0.44
LPAR1 Q92633 3/20 0.44
LPAR5 Q9H1C0 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
FDFT1 P37268 2/20 0.44
KLK7 P49862 1/20 0.44
PTGES O14684 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL1852719 0.95 ESRRG (0.43) NPC1RAB9APLAAT3PLAAT5PLAAT2
SCHEMBL4320069 0.95 PTGES (0.45) NPC1RAB9APLAAT3PLAAT5PLAAT2
SCHEMBL1857107 0.91 MEN1 (0.44) NPC1RAB9APLAAT3PLAAT5PLAAT2
SCHEMBL1852654 0.89 LTA4H (0.45) NPC1RAB9APLAAT3PLAAT5PLAAT2
SCHEMBL1854184 0.89 NPC1 (0.46) NPC1RAB9APLAAT3PLAAT5PLAAT2
SCHEMBL5045506 0.88 NPC1 (0.47) NPC1RAB9APLAAT3PLAAT5PLAAT2
SCHEMBL1858612 0.86 CETP (0.45) FDFT1PTGES
SCHEMBL1855452 0.86 PTGES (0.42) PTGESSMN1; SMN2ALDH1A1HPGD
SCHEMBL1855243 0.86 MEN1 (0.41) NPC1RAB9APLAAT3PLAAT5PLAAT2
SCHEMBL6022369 0.86 MMP8 (0.46) LPAR1LPAR5FDFT1PTGES

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 6 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
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 NPC1 2286/4885RAB9A 2333/4885PLAAT3 1111/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 NPC1 2939/4885RAB9A 3290/4885PLAAT3 272/4885

“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.