SCHEMBL2263754

SCHEMBL2263754

Cc1cc(-c2ccccc2)n(Cc2ccccc2)c(=O)c1C#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.61
ALDH1A1 P00352 8/20 0.61
HPGD P15428 3/20 0.61
PPARG P37231 1/20 0.61
NCOA2 Q15596 1/20 0.61
NCOA1 Q15788 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
NCOA3 Q9Y6Q9 1/20 0.61
CNR1 P21554 2/20 0.61
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
HSD17B10 Q99714 3/20 0.54
PKM P14618 1/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 3/20 0.52
PDE9A O76083 1/20 0.51
PDE1C Q14123 1/20 0.51
POLB P06746 1/20 0.49
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL2264362 0.93 KDM4E (0.61) KDM4EALDH1A1HPGDPPARGNCOA2
SCHEMBL2266794 0.91 ALDH1A1 (0.55) KDM4EALDH1A1HPGDPPARGNCOA2
SCHEMBL2263365 0.86 KDM4E (0.71) KDM4EALDH1A1HPGDPPARGNCOA2
SCHEMBL2261481 0.86 KDM4E (0.62) KDM4EALDH1A1HPGDPPARGNCOA2
SCHEMBL2263772 0.84 KDM4E (0.59) KDM4EALDH1A1HPGDPPARGNCOA2
SCHEMBL11604298 0.84 KDM4E (0.74) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL11418259 0.83 KMT2A (0.71) KDM4EALDH1A1HPGDPPARGNCOA2
SCHEMBL14944154 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDPPARGNCOA2
SCHEMBL2262221 0.80 RXRA (0.59) KDM4EALDH1A1HPGDPPARGNCOA2
SCHEMBL2265763 0.78 KDM4E (0.53) KDM4EALDH1A1HPGDPPARGNCOA2

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 7 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
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 2744/4885HPGD 374/4885

“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.