SCHEMBL4897287

SCHEMBL4897287

CN(C)Cc1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2ccc(Cl)cc2Cl)c1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
C5AR1 P21730 3/20 0.41
MAPT P10636 1/20 0.40
RXRA P19793 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
POLQ O75417 1/20 0.39
EPHX2 P34913 1/20 0.39
PDE10A Q9Y233 1/20 0.39
TP53 P04637 2/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DDR1 Q08345 2/20 0.36
TSHR P16473 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL4904530 0.83 RXRA (0.57) KDM4EALDH1A1RXRANR1H2NR1H3
SCHEMBL2263564 0.83 NR1H2 (0.40) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL2262791 0.81 KDM4E (0.68) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL12366427 0.80 ALDH1A1 (0.51) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL2264665 0.76 NR1H2 (0.51) ALDH1A1HPGDMAPTRXRANR1H2
SCHEMBL2387089 0.73 RXRA (0.73) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL14944243 0.73 PPARG (0.46) EPHX2DDR1
SCHEMBL2261957 0.73 ALDH1A1 (0.57) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL2268603 0.73 KDM4E (0.57) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL12366391 0.72 KDM4E (0.43) KDM4EALDH1A1HPGDNPSR1L3MBTL1

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 3 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

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 1094/4885HPGD 775/4885

“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.