SCHEMBL3474130

SCHEMBL3474130

O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 2/20 0.53
CYP2C9 P11712 2/20 0.52
CYP2D6 P10635 1/20 0.52
ALDH1A1 P00352 4/20 0.50
SCN9A Q15858 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
RXRA P19793 1/20 0.48
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
POLB P06746 4/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
F2 P00734 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NR3C2 P08235 1/20 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
SCHEMBL3472724 0.93 GAA (0.51) KDM4ESMN1; SMN2TSHRCYP2C9ALDH1A1
SCHEMBL3471268 0.91 KMT2A (0.56) KDM4ESMN1; SMN2TSHRALDH1A1GAA
SCHEMBL3474999 0.89 MAPT (0.54) KDM4ESMN1; SMN2ALDH1A1MAPTPKM
SCHEMBL3472951 0.87 RXRA (0.56) SMN1; SMN2ALDH1A1MAPTRXRANR1H2
SCHEMBL14623673 0.87 ATM (0.51) KDM4ESMN1; SMN2TSHRCYP2C9ALDH1A1
SCHEMBL14623306 0.86 RXRA (0.52) SMN1; SMN2MAPTRXRANR1H2NR1H3
SCHEMBL3471717 0.85 RXRA (0.52) SMN1; SMN2MAPTRXRANR1H2NR1H3
SCHEMBL14624090 0.85 RXRA (0.53) SMN1; SMN2MAPTRXRANR1H2NR1H3
SCHEMBL3474968 0.85 RXRA (0.53) SMN1; SMN2MAPTRXRANR1H2NR1H3
SCHEMBL3471907 0.85 RXRA (0.53) SMN1; SMN2CYP2D6GAAMAPTRXRA

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 7 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
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 KDM4E 1934/4885SMN1; SMN2 4666/4885TSHR 301/4885

“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.