SCHEMBL2881671

SCHEMBL2881671

COc1cc(CCn2ccc(C=Cc3ccc(Cl)cc3)cc2=O)ccc1CNC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
PDE4B Q07343 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.37
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MITF O75030 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL2881669 1.00 LMNA (0.40) LMNAPDE4BTP53GAAMEN1
SCHEMBL2876691 0.86 LMNA (0.42) LMNAPDE4BTP53GAAMEN1
SCHEMBL2876693 0.86 LMNA (0.42) LMNAPDE4BTP53GAAMEN1
SCHEMBL2876399 0.83 MCHR1 (0.42) LMNATP53GAAMCHR1ALDH1A1
SCHEMBL2876396 0.83 MCHR1 (0.42) LMNATP53GAAMCHR1ALDH1A1
SCHEMBL2883821 0.82 LMNA (0.41) LMNAGAAMEN1KMT2AKDM4E
SCHEMBL2876596 0.68 MCHR1 (0.53) MCHR1
SCHEMBL2876593 0.68 MCHR1 (0.53) MCHR1
SCHEMBL2876354 0.68 MCHR1 (0.41) GAAMCHR1
SCHEMBL2876352 0.68 MCHR1 (0.41) GAAMCHR1

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 LMNA 1449/4885PDE4B 2343/4885TP53 4865/4885

“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.