SCHEMBL3473953

SCHEMBL3473953

CNC(=O)c1ccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)s2)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.64
NR1H2 P55055 6/20 0.64
NR1H3 Q13133 6/20 0.64
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PDK2 Q15119 1/20 0.38
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
SLC16A3 O15427 2/20 0.35
SLC16A1 P53985 2/20 0.35
MET P08581 1/20 0.35
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
NR3C2 P08235 1/20 0.34

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
SCHEMBL3474269 0.90 RXRA (0.61) RXRANR1H2NR1H3STIM1ORAI1
SCHEMBL3471962 0.89 RXRA (0.59) RXRANR1H2NR1H3RAB9AMAPT
SCHEMBL3473338 0.85 RXRA (0.71) RXRANR1H2NR1H3KDM4ERAB9A
SCHEMBL4662711 0.85 RXRA (0.47) RXRANR1H2NR1H3KDM4ERAB9A
SCHEMBL3473117 0.83 RXRA (0.64) RXRANR1H2NR1H3KMT2AMEN1
SCHEMBL3473734 0.83 RXRA (0.78) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472543 0.83 RXRA (0.74) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471034 0.83 RXRA (0.66) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473797 0.83 RXRA (0.71) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473137 0.83 RXRA (0.71) RXRANR1H2NR1H3KDM4ERAB9A

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 claimed
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 RXRA 18/4885NR1H2 1/4885NR1H3 2/4885

“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.