SCHEMBL3473527

SCHEMBL3473527

O=C(Nc1ccccc1OC(F)F)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 1/20 0.50
RXRA P19793 2/20 0.49
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
MAPT P10636 7/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
THRB P10828 3/20 0.44
TP53 P04637 2/20 0.44
NR3C2 P08235 1/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL3470990 0.89 RXRA (0.50) SMN1; SMN2RXRANR1H2NR1H3MAPT
SCHEMBL3473226 0.89 MAPT (0.56) SMN1; SMN2RXRANR1H2NR1H3MAPT
SCHEMBL3472951 0.88 RXRA (0.56) SMN1; SMN2RXRANR1H2NR1H3MAPT
SCHEMBL3472740 0.88 MAPT (0.49) SMN1; SMN2RXRANR1H2NR1H3MAPT
SCHEMBL14624090 0.87 RXRA (0.53) SMN1; SMN2RXRANR1H2NR1H3MAPT
SCHEMBL3475325 0.87 RXRA (0.50) SMN1; SMN2RXRANR1H2NR1H3MAPT
SCHEMBL3473522 0.86 MAPT (0.53) SMN1; SMN2RXRANR1H2NR1H3MAPT
SCHEMBL3471907 0.85 RXRA (0.53) SMN1; SMN2RXRANR1H2NR1H3MAPT
SCHEMBL3475539 0.85 RXRA (0.56) SMN1; SMN2RXRANR1H2NR1H3MAPT
SCHEMBL3474968 0.85 RXRA (0.53) SMN1; SMN2RXRANR1H2NR1H3MAPT

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
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
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP 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 SMN1; SMN2 4666/4885HTT 4739/4885RXRA 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.