SCHEMBL2787992

SCHEMBL2787992

N=C(N)NCCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)Nc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 3/20 0.49
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
FPR2 P25090 1/20 0.43
PTGS2 P35354 2/20 0.42
FAAH O00519 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MC5R P33032 1/20 0.41
MC3R P41968 1/20 0.41
CDK2 P24941 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
MMP9 P14780 2/20 0.39

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 0.92 GOT1 (0.49) GOT1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2787706 0.90 GOT1 (0.44) GOT1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2787736 0.90 MEN1 (0.45) GOT1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2789684 0.89 GOT1 (0.52) GOT1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9943264 0.89 GOT1 (0.50) GOT1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2787930 0.86 MEN1 (0.45) MEN1KMT2AMAPTSMN1; SMN2CDK4
SCHEMBL2790691 0.86 MEN1 (0.45) GOT1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2787635 0.85 MAPT (0.47) MEN1KMT2AMAPTSMN1; SMN2CDK4
SCHEMBL2787793 0.84 GOT1 (0.44) GOT1MEN1KMT2ACDK4CCND1
SCHEMBL2787447 0.84 GOT1 (0.42) GOT1MEN1KMT2AMAPTSMN1; SMN2

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 4 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
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.