SCHEMBL1754466

SCHEMBL1754466

O=C(c1c(F)cc(F)cc1F)N1N=C(c2ccc(F)cc2)SC1c1ccccc1OCc1nc2ccccc2s1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.64
NR1H3 Q13133 14/20 0.64
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1753978 0.90 NR1H2 (0.70) NR1H2NR1H3
SCHEMBL1754241 0.86 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL1754186 0.82 NR1H2 (0.69) NR1H2NR1H3
SCHEMBL2107320 0.82 NR1H2 (0.73) NR1H2NR1H3
SCHEMBL1753825 0.81 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL1754201 0.81 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL1754355 0.81 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL1754130 0.81 NR1H2 (0.71) NR1H2NR1H3
SCHEMBL1754509 0.80 NR1H2 (0.89) NR1H2NR1H3
SCHEMBL1754613 0.80 NR1H2 (0.65) NR1H2NR1H3

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-8569345-B2 Compounds and compositions as LXR modulators MOLTENI VALENTINA (US) 2013-10-29 US disclosed
US-8569345-B2 Compounds and compositions as LXR modulators MOLTENI VALENTINA (US) 2013-10-29 US disclosed
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2012-08-23 US disclosed
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2012-08-23 US disclosed
US-8158662-B2 Compounds and compositions as LXR modulators HAMILTON (BM) 2012-04-17 US disclosed
US-8158662-B2 Compounds and compositions as LXR modulators HAMILTON (BM) 2012-04-17 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-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885NPC1 32/4885

“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.