SCHEMBL1868356

SCHEMBL1868356

O=C(O)C(=O)N(Cc1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1Br)Cc1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
HIF1A Q16665 4/20 0.43
KLK7 P49862 1/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MCHR1 Q99705 2/20 0.40
PTAFR P25105 2/20 0.40

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
SCHEMBL4315038 0.91 MEN1 (0.44) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL1854760 0.90 MEN1 (0.46) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL1855250 0.88 KDM4E (0.44) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL1851961 0.88 MEN1 (0.46) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL1857111 0.86 MEN1 (0.45) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL1854683 0.85 MEN1 (0.46) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL1857307 0.85 NPC1 (0.49) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL1855988 0.85 TRPV1 (0.44) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL1857335 0.84 NAAA (0.46) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL1855303 0.84 PTGES (0.46) MEN1KMT2ARXFP1NPC1RAB9A

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 7 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-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
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 MEN1 3574/4885KMT2A 1555/4885RXFP1 354/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 MEN1 2496/4885KMT2A 740/4885RXFP1 1557/4885

“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.