SCHEMBL2385097

SCHEMBL2385097

N#Cc1c(C(F)(F)F)cc(-c2cccc(-c3ccc4[nH]ccc4c3)c2)n(Cc2ccc(F)cc2F)c1=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.61
NR1H2 P55055 3/20 0.61
NR1H3 Q13133 3/20 0.61
RIPK3 Q9Y572 4/20 0.45
TNIK Q9UKE5 2/20 0.38
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MAPK14 Q16539 2/20 0.35
MCHR1 Q99705 1/20 0.34
GLO1 Q04760 1/20 0.34
LTB4R Q15722 1/20 0.34
C5AR1 P21730 1/20 0.33
CDK8 P49336 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2388692 0.94 RXRA (0.64) RXRANR1H2NR1H3RIPK3TNIK
SCHEMBL2387165 0.87 RXRA (0.54) RXRANR1H2NR1H3RIPK3TNIK
SCHEMBL2387959 0.87 RXRA (0.74) RXRANR1H2NR1H3RIPK3TNIK
SCHEMBL4907617 0.87 NR1H2 (0.45) RXRANR1H2NR1H3RIPK3ALDH1A1
SCHEMBL14214340 0.86 RXRA (0.75) RXRANR1H2NR1H3RIPK3ALDH1A1
SCHEMBL2392079 0.83 RXRA (0.66) RXRANR1H2NR1H3RIPK3ALDH1A1
SCHEMBL2388788 0.83 RXRA (0.66) RXRANR1H2NR1H3RIPK3ALDH1A1
SCHEMBL2387099 0.83 RXRA (0.65) RXRANR1H2NR1H3RIPK3MAPK14
SCHEMBL2387495 0.82 NR1H2 (0.73) RXRANR1H2NR1H3RIPK3ALDH1A1
SCHEMBL2386543 0.82 RXRA (0.62) RXRANR1H2NR1H3MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US claimed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US claimed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO claimed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO claimed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 US claimed
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US disclosed
US-7482366-B2 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2009-01-27 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO disclosed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 US 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 (3 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 RXRA 20/4885NR1H2 1/4885NR1H3 3/4885
US-20050080111-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 RXRA 16/4885NR1H2 1/4885NR1H3 2/4885
US-20100056582-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 RXRA 16/4885NR1H2 1/4885NR1H3 2/4885

“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.