SCHEMBL6984295

SCHEMBL6984295

CC(OCn1cc(Br)nc1-c1ccccc1)[Si](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.44
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 1/20 0.33
DGAT1 O75907 1/20 0.33
NR1H3 Q13133 3/20 0.33
NR1H2 P55055 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PRKACA P17612 1/20 0.32
RPS6KB1 P23443 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE5A O76074 1/20 0.32
TSHR P16473 1/20 0.31
CASR P41180 1/20 0.31
ADORA1 P30542 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL9638251 0.77 DGAT1 (0.46) DGAT1
SCHEMBL84164 0.76 DGAT1 (0.56) BRD4KDM4EDGAT1NR1H3NR1H2
SCHEMBL27217302 0.69 BRD4 (0.47) BRD4NR1H3NR1H2NPC1RAB9A
SCHEMBL27217266 0.68 ADORA1 (0.37) BRD4KDM4ENR1H3NR1H2NPC1
SCHEMBL7925236 0.67 PPARG (0.39) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL27581582 0.67 ATM (0.35) NR1H3NR1H2NPC1RAB9ATSHR
SCHEMBL4838002 0.66 ALDH1A1 (0.32) KDM4ENPC1RAB9AALDH1A1
SCHEMBL4269776 0.65 BRD4 (0.33) BRD4KDM4EHSD17B10NR1H3NR1H2
SCHEMBL7921350 0.64 KDM4E (0.50) BRD4KDM4EHSD17B10NR1H3NR1H2
SCHEMBL6984296 0.62 POLB (0.37) KDM4EHSD17B10NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224180-B1 SUBSTITUTED AZOLES NOVARTIS AG (CH) 2003-07-02 EP disclosed
US-6579874-B2 P38 MAP kinase inhibitors; treating Tumor necrosis factor (TNF-alpha) and Interleukin-1 mediated diseases, such as rheumatoid arthritis; imidazole and oxazole derivatives NOVARTIS AG (CH) 2003-06-17 US disclosed
US-20020049220-A1 Substituted azoles NOVARTIS AG (CH) 2002-04-25 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-20020049220-A1 Substituted azoles MAPK1, MAPK4, MAP3K1 BRD4 2671/4885KDM4E 1625/4885HSD17B10 2536/4885

“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.