SCHEMBL2789272

SCHEMBL2789272

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.50
MC5R P33032 10/20 0.49
MC3R P41968 10/20 0.49
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2788142 0.97 GOT1 (0.53) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943264 0.91 GOT1 (0.50) GOT1MC5RMC3RCDK4CCND1
SCHEMBL2788365 0.89 GOT1 (0.49) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943439 0.88 MC5R (0.47) GOT1MC5RMC3RCDK4CCND1
SCHEMBL2789631 0.88 KMT2A (0.53) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2789684 0.86 GOT1 (0.52) GOT1CDK4CCND1MEN1KMT2A
SCHEMBL9943335 0.86 GOT1 (0.49) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943282 0.85 MC5R (0.47) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943267 0.85 MC5R (0.49) MC5RMC3RCDK4CCND1MEN1
SCHEMBL2787985 0.84 MC5R (0.43) GOT1MC5RMC3RCDK4CCND1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227502-B2 Amides acting on the adenosine receptors ANAMAR AB (SE) 2012-07-24 US claimed
EP-2099815-B1 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS ANAMAR AB (SE) 2012-06-20 EP claimed
US-20100098629-A1 Novel Amides Acting on the Adenosine Receptors ACURE PHARMA AB (SE) 2010-04-22 US claimed
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 1175/4885MC5R 328/4885MC3R 304/4885

“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.