SCHEMBL3473455

SCHEMBL3473455

COc1ccc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 3/20 0.55
POLB P06746 1/20 0.55
RXRA P19793 2/20 0.49
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
LMNA P02545 1/20 0.48
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.46
RPA1 P27694 2/20 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
SCHEMBL3471649 0.88 POLB (0.54) SMN1; SMN2MAPTPOLBRXRANR1H2
SCHEMBL3473186 0.88 HTT (0.53) SMN1; SMN2MAPTPOLBRXRANR1H2
SCHEMBL3472832 0.88 RPA1 (0.53) MAPTRXRANR1H2NR1H3RPA1
SCHEMBL3471475 0.87 IDH1 (0.53) MAPTRXRANR1H2NR1H3NAMPT
SCHEMBL3474538 0.87 RXRA (0.52) RXRANR1H2NR1H3RPA1
SCHEMBL15690912 0.86 RXRA (0.49) MAPTRXRANR1H2NR1H3RPA1
SCHEMBL3471865 0.85 MAPT (0.69) SMN1; SMN2MAPTPOLBRXRANR1H2
SCHEMBL3477754 0.85 NAMPT (0.49) SMN1; SMN2MAPTPOLBRXRANR1H2
SCHEMBL3475492 0.85 RXRA (0.61) RXRANR1H2NR1H3RPA1
SCHEMBL3471539 0.84 MLYCD (0.53) MAPTRXRANR1H2NR1H3LMNA

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 6 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

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 4737/4885POLB 3735/4885

“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.