SCHEMBL2787447

SCHEMBL2787447

N=C(N)NCCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)Nc1ccc(F)cc1)c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 3/20 0.42
SIRT1 Q96EB6 1/20 0.41
PTGS2 P35354 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CDK4 P11802 5/20 0.40
CCND1 P24385 5/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.38

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
SCHEMBL2787736 0.94 MEN1 (0.45) GOT1PTGS2TRPV1CDK4CCND1
SCHEMBL2787793 0.93 GOT1 (0.44) GOT1SIRT1PTGS2TRPV1CDK4
SCHEMBL2788385 0.90 CDK4 (0.44) GOT1SIRT1PTGS2TRPV1CDK4
SCHEMBL2787706 0.87 GOT1 (0.44) GOT1PTGS2TRPV1CDK4CCND1
SCHEMBL2788832 0.85 MEN1 (0.41) GOT1SIRT1PTGS2TRPV1CDK4
SCHEMBL2787635 0.85 MAPT (0.47) CDK4CCND1MEN1KMT2AMAPT
SCHEMBL2790691 0.85 MEN1 (0.45) GOT1SIRT1PTGS2TRPV1CDK4
SCHEMBL2787930 0.85 MEN1 (0.45) CDK4CCND1MEN1KMT2AMAPT
SCHEMBL2787992 0.84 GOT1 (0.49) GOT1PTGS2TRPV1CDK4CCND1
SCHEMBL9943282 0.83 MC5R (0.47) GOT1CDK4CCND1MEN1KMT2A

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 1175/4885SIRT1 2192/4885PTGS2 778/4885

“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.