SCHEMBL3473536

SCHEMBL3473536

O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RXRA P19793 2/20 0.51
NR1H2 P55055 2/20 0.51
NR1H3 Q13133 2/20 0.51
TP53 P04637 2/20 0.49
SLC5A1 P13866 3/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NPY5R Q15761 1/20 0.48
THRB P10828 3/20 0.46
P2RX1 P51575 1/20 0.45
NAMPT P43490 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
SCHEMBL3473656 0.91 MAPT (0.64) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3473623 0.91 MAPT (0.55) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3472395 0.91 MAPT (0.54) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3474587 0.88 RXRA (0.55) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3471324 0.88 MAPT (0.59) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3470926 0.88 MAPT (0.55) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3472322 0.88 MAPT (0.55) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3471319 0.88 MAPT (0.51) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3472847 0.87 RXRA (0.54) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3472362 0.87 RXRA (0.54) MAPTSMN1; SMN2RXRANR1H2NR1H3

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 MAPT 4737/4885SMN1; SMN2 4666/4885RXRA 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.