SCHEMBL2789684

SCHEMBL2789684

N=C(N)NCCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 4/20 0.52
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
PTGS2 P35354 1/20 0.45
HDAC8 Q9BY41 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL2788365 0.98 GOT1 (0.49) GOT1MEN1KMT2ANPC1RAB9A
SCHEMBL2787992 0.89 GOT1 (0.49) GOT1MEN1KMT2APTGS2ALDH1A1
SCHEMBL2788142 0.89 GOT1 (0.53) GOT1MEN1KMT2ANPC1RAB9A
SCHEMBL2790691 0.87 MEN1 (0.45) GOT1MEN1KMT2ANPC1RAB9A
SCHEMBL2787837 0.87 KMT2A (0.52) MEN1KMT2ARAB9APTGS2ALDH1A1
SCHEMBL2789272 0.86 GOT1 (0.50) GOT1MEN1KMT2ANPC1RAB9A
SCHEMBL2787930 0.84 MEN1 (0.45) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2787736 0.84 MEN1 (0.45) GOT1MEN1KMT2ANPC1RAB9A
SCHEMBL2788832 0.83 MEN1 (0.41) GOT1MEN1KMT2ANPC1RAB9A
SCHEMBL2787447 0.83 GOT1 (0.42) GOT1MEN1KMT2ASIRT1PTGS2

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-2099815-B1 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS ANAMAR AB (SE) 2012-06-20 EP claimed
EP-2099815-A2 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS Acure Pharma AB (SE) 2009-09-16 EP claimed
WO-2008058679-A2 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS ACURE PHARMA AB (SE) 2008-05-22 WO claimed
US-8227502-B2 Amides acting on the adenosine receptors ANAMAR AB (SE) 2012-07-24 US disclosed
EP-2099815-B1 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS ANAMAR AB (SE) 2012-06-20 EP disclosed
US-20100098629-A1 Novel Amides Acting on the Adenosine Receptors ACURE PHARMA AB (SE) 2010-04-22 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 (1 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-20100098629-A1 Novel Amides Acting on the Adenosine Receptors ADORA1, ADORA3, ADORA2B GOT1 1175/4885MEN1 4664/4885KMT2A 3804/4885

“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.