SCHEMBL2261173

SCHEMBL2261173

N#Cc1c(C(F)(F)F)cc(-c2cccc(NC(=O)c3ccccc3)c2)n(Cc2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 1/20 0.46
RXRA P19793 1/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
ALDH1A1 P00352 4/20 0.44
SLC2A1 P11166 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
RAF1 P04049 1/20 0.41
BRAF P15056 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
SCHEMBL2261959 0.90 RXRA (0.45) RXRANR1H2NR1H3ALDH1A1NPSR1
SCHEMBL2261947 0.90 RXRA (0.45) RXRANR1H2NR1H3ALDH1A1NPSR1
SCHEMBL2264370 0.88 RXRA (0.46) RXRANR1H2NR1H3ALDH1A1NPSR1
SCHEMBL2262959 0.86 F2R (0.47) RXRANR1H2NR1H3ALDH1A1NPSR1
SCHEMBL2261466 0.86 RXRA (0.51) RXRANR1H2NR1H3ALDH1A1NPSR1
SCHEMBL2268418 0.86 FGFR3 (0.43) RXRANR1H2NR1H3ALDH1A1NPSR1
SCHEMBL2263631 0.86 RXRA (0.48) RXRANR1H2NR1H3ALDH1A1NPSR1
SCHEMBL2264954 0.86 MGLL (0.45) RXRANR1H2NR1H3ALDH1A1NPSR1
SCHEMBL7027977 0.85 RXRA (0.47) RXRANR1H2NR1H3ALDH1A1NPSR1
SCHEMBL12389482 0.85 NR1H2 (0.47) RXRANR1H2NR1H3ALDH1A1NPSR1

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 KCNK3 2084/4885KCNK9 2709/4885RXRA 16/4885

“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.