SCHEMBL3471504

SCHEMBL3471504

O=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALOX15 P16050 1/20 0.52
RXRA P19793 2/20 0.51
NR1H2 P55055 2/20 0.51
NR1H3 Q13133 2/20 0.51
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 6/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 2/20 0.48
NR3C2 P08235 1/20 0.47
TSHR P16473 2/20 0.46
TP53 P04637 2/20 0.46
USP2 O75604 1/20 0.44

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
SCHEMBL3471846 0.91 RXRA (0.51) RXRANR1H2NR1H3ALDH1A1SMN1; SMN2
SCHEMBL3472568 0.91 RXRA (0.51) RXRANR1H2NR1H3ALDH1A1SMN1; SMN2
SCHEMBL3472549 0.88 RXRA (0.56) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3470736 0.88 RXRA (0.56) RXRANR1H2NR1H3MAPK1MAPT
SCHEMBL3471931 0.88 RXRA (0.49) RXRANR1H2NR1H3ALDH1A1SMN1; SMN2
SCHEMBL3471476 0.88 SLC6A7 (0.57) RXRANR1H2NR1H3ALDH1A1MAPK1
SCHEMBL3471233 0.88 RXRA (0.56) RXRANR1H2NR1H3ALDH1A1SMN1; SMN2
SCHEMBL3472038 0.88 RXRA (0.58) RXRANR1H2NR1H3ALDH1A1SMN1; SMN2
SCHEMBL3470812 0.88 MEN1 (0.57) RXRANR1H2NR1H3ALDH1A1SMN1; SMN2
SCHEMBL3473198 0.88 RXRA (0.55) RXRANR1H2NR1H3MEN1KMT2A

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 6 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
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

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 KDM4E 1934/4885ALOX15 1067/4885RXRA 18/4885

“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.