SCHEMBL3474246

SCHEMBL3474246

O=C(Nc1cccc2cccnc12)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 5/20 0.50
TP53 P04637 3/20 0.50
RXRA P19793 2/20 0.50
NR1H2 P55055 2/20 0.50
NR1H3 Q13133 2/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL3471821 0.87 PABPC1 (0.53) L3MBTL1MAPTTP53RXRANR1H2
SCHEMBL3472951 0.87 RXRA (0.56) L3MBTL1MAPTTP53RXRANR1H2
SCHEMBL3473007 0.86 RXRA (0.47) L3MBTL1MAPTTP53RXRANR1H2
SCHEMBL3475539 0.86 RXRA (0.56) MAPTTP53RXRANR1H2NR1H3
SCHEMBL2259628 0.86 KDR (0.54) KDRL3MBTL1GAAMAPTTP53
SCHEMBL3472553 0.85 RXRA (0.56) MAPTTP53RXRANR1H2NR1H3
SCHEMBL3472784 0.85 NPY5R (0.51) MAPTTP53RXRANR1H2NR1H3
SCHEMBL14624090 0.85 RXRA (0.53) MAPTTP53RXRANR1H2NR1H3
SCHEMBL3471907 0.85 RXRA (0.53) GAAMAPTTP53RXRANR1H2
SCHEMBL3474968 0.85 RXRA (0.53) MAPTTP53RXRANR1H2NR1H3

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 9 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
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 KDR 2040/4885L3MBTL1 2172/4885GAA 2305/4885

“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.