SCHEMBL4417815

SCHEMBL4417815

CC(C)[Si](OCc1cc2cc(Br)ccc2n1Cc1ccccc1)(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
ESR1 P03372 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CFTR P13569 2/20 0.36
PLA2G2A P14555 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL4415586 0.81 PGR (0.39)
SCHEMBL5100347 0.79 ALDH1A1 (0.46) NPC1LMNAALDH1A1PLA2G2AMAPT
SCHEMBL4415758 0.77 BRD4 (0.48) NPC1ESR1KMT2AMEN1POLB
SCHEMBL27616419 0.74 PLA2G2A (0.47) NPC1ALDH1A1PLA2G2ADRD2MAPT
SCHEMBL6823869 0.74 NPC1 (0.50) NPC1ESR1KMT2AMEN1LMNA
SCHEMBL27616420 0.72 NPC1 (0.46) NPC1PLA2G2AMAPTHDAC8
SCHEMBL6823478 0.70 ESR1 (0.52) NPC1ESR1ALDH1A1CFTR
SCHEMBL27616417 0.69 NPC1 (0.43) NPC1TSHRTDP1ALDH1A1POLB
SCHEMBL481303 0.69 IDO1 (0.53)
SCHEMBL27663338 0.68 CCR2 (0.71)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 EP disclosed
US-7485652-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2009-02-03 US disclosed
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators DEHMLOW HENRIETTA 2007-05-03 US disclosed
US-7173048-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
US-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 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 (2 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-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators INSR, NR1H2, NR1H3 NPC1 129/4885ESR1 161/4885KMT2A 2809/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 NPC1 129/4885ESR1 161/4885KMT2A 2809/4885

“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.