SCHEMBL1754538

SCHEMBL1754538

CCc1ccc(C(=O)N2N=C(c3ccc(F)cc3)SC2c2cccc(OCc3ccc(C(=O)O)o3)c2OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.59
NR1H3 Q13133 14/20 0.59
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1754524 0.97 NR1H2 (0.62) NR1H2NR1H3KMT2AMEN1ALDH1A1
SCHEMBL1754539 0.94 NR1H2 (0.57) NR1H2NR1H3KMT2AMEN1ALDH1A1
SCHEMBL1754528 0.94 NR1H2 (0.59) NR1H2NR1H3KMT2AMEN1ALDH1A1
SCHEMBL1754527 0.94 NR1H2 (0.59) NR1H2NR1H3KMT2AMEN1ALDH1A1
SCHEMBL11997943 0.92 NR1H2 (0.55) NR1H2NR1H3KMT2AMEN1ALDH1A1
SCHEMBL1754525 0.92 NR1H2 (0.56) NR1H2NR1H3KMT2AMEN1ALDH1A1
SCHEMBL1754542 0.92 NR1H2 (0.56) NR1H2NR1H3KMT2AMEN1ALDH1A1
SCHEMBL1754359 0.90 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL1754439 0.89 NR1H2 (0.60) NR1H2NR1H3KMT2AMEN1ALDH1A1
SCHEMBL1753980 0.88 NR1H2 (0.71) 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 2/4885KMT2A 2392/4885

“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.