SCHEMBL3474086

SCHEMBL3474086

O=C(NCCN1CCOCC1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 9/20 0.57
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HPGD P15428 1/20 0.55
ALDH1A1 P00352 1/20 0.52
HTR1A P08908 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
KCNH2 Q12809 1/20 0.52
HPGDS O60760 3/20 0.52
EPHX2 P34913 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL3473274 0.95 HTT (0.63) CD274HTTNPSR1HPGDALDH1A1
SCHEMBL3474545 0.92 CHRNB2 (0.51) CD274HTTNPSR1ALDH1A1EPHX2
SCHEMBL3471829 0.91 CHRNB2 (0.52) CD274HTTNPSR1ALDH1A1EPHX2
SCHEMBL3474418 0.85 PTGS2 (0.50) HTTNPSR1PTGS2
SCHEMBL3474330 0.85 RXRA (0.54) HTTHPGDALDH1A1PTGS2
SCHEMBL3473364 0.84 RXRA (0.56) HTTHPGDALDH1A1PTGS2
SCHEMBL3472915 0.83 RXRA (0.52) KCNH2
SCHEMBL3473854 0.82 RXRA (0.54) HTTNPSR1HPGDALDH1A1
SCHEMBL3474130 0.82 KDM4E (0.53) HTTALDH1A1CYP2D6CYP2C19
SCHEMBL3472836 0.82 RXRA (0.53) HTTNPSR1HPGDALDH1A1KCNH2

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
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 CN disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
CN-101248048-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 CD274 4338/4885HTT 4739/4885NPSR1 371/4885

“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.