SCHEMBL2786285

SCHEMBL2786285

COc1ccc(C(C(=O)Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C(=O)CCN)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.47
MEN1 O00255 9/20 0.47
MAPT P10636 8/20 0.47
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
ALDH1A1 P00352 2/20 0.44
CDK2 P24941 1/20 0.44
MC5R P33032 2/20 0.44
MC3R P41968 1/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.42
MC4R P32245 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2788223 0.91 MEN1 (0.46) KMT2AMEN1MAPTTDP1KDM4E
SCHEMBL9943267 0.89 MC5R (0.49) KMT2AMEN1MAPTCDK4CCND1
SCHEMBL2788511 0.87 CDK4 (0.48) KMT2AMEN1MAPTTDP1KDM4E
SCHEMBL2787710 0.85 KMT2A (0.52) KMT2AMEN1MAPTTDP1KDM4E
SCHEMBL2789631 0.83 KMT2A (0.53) KMT2AMEN1MAPTPOLB
SCHEMBL9943315 0.82 GOT1 (0.44) KMT2AMEN1MAPTCDK4CCND1
SCHEMBL9943439 0.82 MC5R (0.47) KMT2AMEN1MAPTCDK4CCND1
SCHEMBL9943282 0.82 MC5R (0.47) KMT2AMEN1MAPTCDK4CCND1
SCHEMBL2787985 0.81 MC5R (0.43) KMT2AMEN1MAPTCDK4CCND1
SCHEMBL9943323 0.81 GOT1 (0.44) KMT2AMEN1MAPTCDK4CCND1

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-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 KMT2A 3804/4885MEN1 4664/4885MAPT 4617/4885

“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.