SCHEMBL3474283

SCHEMBL3474283

COc1ccc(CCNC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
RXRA P19793 2/20 0.49
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
PTGS2 P35354 4/20 0.48
PTGS1 P23219 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
RPA1 P27694 2/20 0.47

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
SCHEMBL14623690 0.94 SMN1; SMN2 (0.49) SMN1; SMN2MAPTKMT2AMEN1RPA1
SCHEMBL3472833 0.92 MAPT (0.51) SMN1; SMN2MAPTRXRANR1H2NR1H3
SCHEMBL3471454 0.88 RXRA (0.60) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3473854 0.87 RXRA (0.54) SMN1; SMN2MAPTRXRANR1H2NR1H3
SCHEMBL3472452 0.87 MAPT (0.49) SMN1; SMN2MAPTRXRANR1H2NR1H3
SCHEMBL14623687 0.86 CA1 (0.49) SMN1; SMN2MAPTRXRANR1H2NR1H3
SCHEMBL2256568 0.86 CARM1 (0.52) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL3472234 0.85 ALDH1A1 (0.59) SMN1; SMN2MAPTRXRANR1H2NR1H3
SCHEMBL3473769 0.85 RXRA (0.52) SMN1; SMN2MAPTRXRANR1H2NR1H3
SCHEMBL3471008 0.85 MAPT (0.64) SMN1; SMN2MAPTRXRANR1H2NR1H3

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 4666/4885MAPT 4737/4885RXRA 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.