SCHEMBL2263365

SCHEMBL2263365

Cc1ccccc1Cn1c(-c2ccccc2)cc(C)c(C#N)c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.71
ALDH1A1 P00352 10/20 0.71
LMNA P02545 3/20 0.71
MAPT P10636 3/20 0.58
KMT2A Q03164 4/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 5/20 0.50
MEN1 O00255 3/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CNR1 P21554 1/20 0.46
GAA P10253 1/20 0.44
HSD17B10 Q99714 2/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL14944106 0.88 ALDH1A1 (0.58) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL2263754 0.86 KDM4E (0.61) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL2261815 0.86 RXRA (0.59) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL11607521 0.83 KDM4E (1.00) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL2264362 0.83 KDM4E (0.61) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL2266794 0.81 ALDH1A1 (0.55) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL2261481 0.79 KDM4E (0.62) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL2267168 0.78 RXRA (0.56) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL2261212 0.77 ALDH1A1 (0.52) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL4897058 0.77 KDM4E (0.48) KDM4EALDH1A1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 KDM4E 1528/4885ALDH1A1 2744/4885LMNA 695/4885

“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.