SCHEMBL3471277

SCHEMBL3471277

O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.56
TRPV1 Q8NER1 3/20 0.54
RXRA P19793 2/20 0.54
NR1H2 P55055 2/20 0.54
NR1H3 Q13133 2/20 0.54
ORAI1 Q96D31 1/20 0.53
THRB P10828 2/20 0.51
PTGS1 P23219 1/20 0.50
EPHX2 P34913 1/20 0.50
PTGS2 P35354 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NR3C2 P08235 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL14624812 0.94 TRPV1 (0.53) MAPTSMN1; SMN2TP53POLBTRPV1
SCHEMBL3471938 0.94 ORAI1 (0.60) MAPTSMN1; SMN2TP53POLBTRPV1
SCHEMBL3471324 0.94 MAPT (0.59) MAPTSMN1; SMN2TP53POLBRXRA
SCHEMBL3474142 0.93 MAPT (0.59) MAPTSMN1; SMN2TP53POLBRXRA
SCHEMBL3472102 0.93 MAPT (0.61) MAPTSMN1; SMN2TP53POLBTRPV1
SCHEMBL3473312 0.93 MAPT (0.54) MAPTSMN1; SMN2TP53POLBTRPV1
SCHEMBL3473103 0.92 MAPT (0.55) MAPTSMN1; SMN2TP53POLBTRPV1
SCHEMBL3472857 0.92 MAPT (0.57) MAPTSMN1; SMN2TP53POLBTRPV1
SCHEMBL3473738 0.92 PTGS2 (0.57) MAPTSMN1; SMN2TP53POLBRXRA
SCHEMBL3471118 0.92 MAPT (0.57) MAPTSMN1; SMN2TP53POLBRXRA

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.