SCHEMBL3472273

SCHEMBL3472273

O=C(O)c1cccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 1/20 0.56
RXRA P19793 2/20 0.53
NR1H2 P55055 2/20 0.53
NR1H3 Q13133 2/20 0.53
POLB P06746 3/20 0.51
THRB P10828 2/20 0.49
NR1H4 Q96RI1 3/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RORC P51449 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
SCHEMBL3472421 0.94 MAPT (0.55) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3471973 0.93 RXRA (0.55) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3471324 0.92 MAPT (0.59) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3473833 0.92 MAPT (0.53) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3474142 0.92 MAPT (0.59) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3474587 0.91 RXRA (0.55) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3472322 0.90 MAPT (0.55) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3473163 0.90 MAPT (0.62) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3472847 0.90 RXRA (0.54) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3472362 0.90 RXRA (0.54) MAPTSMN1; SMN2TP53RXRANR1H2

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 10 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
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 MAPT 4737/4885SMN1; SMN2 4666/4885TP53 4318/4885

“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.