SCHEMBL4906873

SCHEMBL4906873

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 5/20 0.55
RXRA P19793 3/20 0.52
NR1H2 P55055 3/20 0.52
NR1H3 Q13133 3/20 0.52
AR P10275 2/20 0.46
MAPT P10636 2/20 0.43
HPGD P15428 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL2262791 0.90 KDM4E (0.68) KDM4EALDH1A1RXRANR1H2NR1H3
SCHEMBL2387089 0.85 RXRA (0.73) KDM4EALDH1A1RXRANR1H2NR1H3
SCHEMBL2387661 0.84 RXRA (0.59) KDM4EALDH1A1RXRANR1H2NR1H3
SCHEMBL2268603 0.83 KDM4E (0.57) KDM4EALDH1A1RXRANR1H2NR1H3
SCHEMBL4899639 0.82 RXRA (0.74) KDM4EALDH1A1RXRANR1H2NR1H3
SCHEMBL2262884 0.82 NR1H2 (0.52) KDM4EALDH1A1RXRANR1H2NR1H3
SCHEMBL4904761 0.81 NR1H2 (0.52) KDM4EALDH1A1RXRANR1H2NR1H3
SCHEMBL2390307 0.81 KDM4E (0.52) KDM4EALDH1A1RXRANR1H2NR1H3
SCHEMBL2387806 0.81 RXRA (0.54) KDM4EALDH1A1RXRANR1H2NR1H3
SCHEMBL4907889 0.80 RXRA (0.68) KDM4EALDH1A1RXRANR1H2NR1H3

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 5 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
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

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 KDM4E 2711/4885ALDH1A1 1094/4885RXRA 20/4885

“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.