SCHEMBL4907677

SCHEMBL4907677

N#Cc1c(C(F)(F)F)cc(-c2ccc(Br)s2)n(Cc2ccc(Cl)cc2Cl)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.49
NR1H2 P55055 3/20 0.49
NR1H3 Q13133 3/20 0.49
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 1/20 0.37
C5AR1 P21730 2/20 0.36
HPGD P15428 4/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
EPHX2 P34913 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34

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
SCHEMBL2387806 0.88 RXRA (0.54) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2386553 0.86 RXRA (0.53) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2388507 0.85 RXRA (0.59) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2388686 0.84 RXRA (0.56) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2386386 0.84 RXRA (0.59) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2386420 0.83 RXRA (0.67) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL4899614 0.83 NR1H2 (0.52) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2390276 0.82 RXRA (0.51) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2389565 0.82 RXRA (0.66) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2387808 0.82 RXRA (0.56) RXRANR1H2NR1H3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 RXRA 20/4885NR1H2 1/4885NR1H3 3/4885

“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.