SCHEMBL2260004

SCHEMBL2260004

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCN(Cc2cccnc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 5/20 0.49
MAPT P10636 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
GRM5 P41594 1/20 0.43
TACR3 P29371 1/20 0.42
HTR7 P34969 1/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL2256149 0.92 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTGRM5HTR7
SCHEMBL2258080 0.89 LMNA (0.48) ALDH1A1KDM4EMAPTDRD4DRD3
SCHEMBL2258118 0.86 TP53 (0.49) ALDH1A1KDM4EMAPTGRM5TACR3
SCHEMBL2258849 0.85 LMNA (0.56) ALDH1A1KDM4EMAPTDRD3HIF1A
SCHEMBL2258178 0.84 TACR3 (0.47) ALDH1A1KDM4EMAPTDRD2DRD4
SCHEMBL2256734 0.83 IRAK4 (0.47) ALDH1A1KDM4EMAPTDRD2DRD3
SCHEMBL2257784 0.83 SIGMAR1 (0.48) DRD2DRD3GRM5HTR7
SCHEMBL2259313 0.81 TP53 (0.61) DRD2DRD3GRM5LMNA
SCHEMBL2254479 0.81 ALDH1A1 (0.53) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL2260504 0.80 MEN1 (0.50) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 ALDH1A1 3692/4885KDM4E 2153/4885MAPT 4713/4885

“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.