SCHEMBL2881116

SCHEMBL2881116

CCN(CC)Cc1ccc(CCn2cccc(Oc3ccc(C(F)(F)F)cc3)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.48
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN9A Q15858 1/20 0.37
HMOX1 P09601 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL2881804 0.90 MCHR1 (0.48) MCHR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2881786 0.86 MCHR1 (0.48) MCHR1ALDH1A1KMT2AHDAC3HDAC4
SCHEMBL2876542 0.85 MCHR1 (0.48) MCHR1KDM4EALDH1A1HDAC3HDAC4
SCHEMBL2881947 0.77 MCHR1 (0.45) MCHR1KDM4EALDH1A1HDAC3HDAC4
SCHEMBL2881979 0.65 MCHR1 (1.00) MCHR1
SCHEMBL12128419 0.65 BCHE (0.50) KDM4EMEN1KMT2A
SCHEMBL1850743 0.61 KCNH2 (0.49) KDM4EALDH1A1HDAC1HDAC8
SCHEMBL2897379 0.61 LIPG (0.45) KDM4EALDH1A1MMP2
SCHEMBL2883772 0.61 MCHR1 (0.56) MCHR1HDAC6
SCHEMBL28638978 0.61 L3MBTL1 (0.52) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 US disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 EP 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R MCHR1 4/4885KDM4E 1517/4885ALDH1A1 1631/4885

“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.