SCHEMBL1922650

SCHEMBL1922650

CC(C)(C)[SiH2]OC(C)(C)c1cc(Br)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL4393687 0.75 CYP3A4 (0.35) ALDH1A1CYP3A4TSHRTDP1
SCHEMBL2103778 0.75 TDP1 (0.50) ALDH1A1CYP3A4TSHRTDP1MAPT
SCHEMBL381761 0.74 PTGDR2 (0.42) KDM4EGLAPTGDR2ALDH1A1CYP3A4
SCHEMBL5454232 0.74 CYP3A4 (0.42) KDM4EALDH1A1CYP3A4TSHRTDP1
SCHEMBL5208034 0.71 CYP2A6 (0.33) KDM4EALDH1A1
SCHEMBL30788045 0.71 PGR (0.49) KDM4EGLAPTGDR2ALDH1A1CYP3A4
SCHEMBL78315 0.71 PGR (0.49) KDM4EGLAPTGDR2ALDH1A1CYP3A4
SCHEMBL4033347 0.69 CD44 (0.36) ALDH1A1CYP3A4TSHR
SCHEMBL10408240 0.68 KDM4E (0.36) KDM4EGLAPTGDR2ALDH1A1MAPT
SCHEMBL9983523 0.67 BACE1 (0.41)

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-2328880-B1 6-SUBSTITUTED BENZOXAZINES AS 5-HT-5A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-10-31 EP disclosed
US-8163740-B2 6-substituted benzoxazines HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2328880-A2 6-SUBSTITUTED BENZOXAZINES AS 5-HT-5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-06-08 EP disclosed
WO-2010026110-A2 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 WO disclosed
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 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-20100063037-A1 6-SUBSTITUTED BENZOXAZINES HTR5A, NPY5R, GABRA5 KDM4E 944/4885GLA 1659/4885PTGDR2 204/4885

“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.