SCHEMBL3472836

SCHEMBL3472836

O=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.53
NR1H2 P55055 3/20 0.53
NR1H3 Q13133 3/20 0.53
SMPD1 P17405 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
HPGD P15428 1/20 0.52
NR3C2 P08235 1/20 0.52
KCNH2 Q12809 3/20 0.48
HDAC4 P56524 1/20 0.47
RORC P51449 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
MGLL Q99685 1/20 0.45

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
SCHEMBL3472549 0.91 RXRA (0.56) RXRANR1H2NR1H3SMPD1MEN1
SCHEMBL3470736 0.91 RXRA (0.56) RXRANR1H2NR1H3SMPD1MAPT
SCHEMBL3473198 0.90 RXRA (0.55) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3472038 0.88 RXRA (0.58) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3471233 0.88 RXRA (0.56) RXRANR1H2NR1H3SMN1; SMN2NR3C2
SCHEMBL3472082 0.88 RXRA (0.53) RXRANR1H2NR1H3SMPD1MAPT
SCHEMBL3473588 0.87 RXRA (0.52) RXRANR1H2NR1H3NR3C2HDAC4
SCHEMBL3474534 0.87 RXRA (0.50) RXRANR1H2NR1H3SMPD1MEN1
SCHEMBL3471228 0.87 RXRA (0.52) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3473314 0.86 ALDH1A1 (0.53) RXRANR1H2NR1H3MAPTLMNA

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 7 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
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 RXRA 18/4885NR1H2 1/4885NR1H3 2/4885

“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.