SCHEMBL2389380

SCHEMBL2389380

N#Cc1c(C(F)(F)F)cc(-c2ccc(Oc3ccccc3)cc2)n(Cc2ccc(F)cc2Cl)c1=O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.83
NR1H3 Q13133 5/20 0.83
RXRA P19793 4/20 0.83
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 2/20 0.46
P2RX7 Q99572 2/20 0.40
HPGD P15428 4/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
KMT2A Q03164 3/20 0.39
GAA P10253 3/20 0.39
HTT P42858 1/20 0.39
NR1I2 O75469 1/20 0.38
NR3C1 P04150 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL2387089 0.92 RXRA (0.73) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL4907889 0.92 RXRA (0.68) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2387908 0.91 RXRA (1.00) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2388745 0.90 RXRA (0.67) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2389620 0.86 RXRA (0.62) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2387246 0.86 RXRA (0.91) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL14944242 0.85 RXRA (0.74) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2388028 0.85 RXRA (0.63) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2264824 0.83 RXRA (0.71) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2262791 0.83 KDM4E (0.68) NR1H2NR1H3RXRAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US claimed
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
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 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 NR1H2 1/4885NR1H3 3/4885RXRA 20/4885
US-20050080111-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 16/4885
US-20100056582-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 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.