SCHEMBL2103775

SCHEMBL2103775

CC(C)(C)[Si](C)(C)OCc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
TDP1 Q9NUW8 6/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 3/20 0.44
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.41
IDO1 P14902 2/20 0.40
GAA P10253 2/20 0.40
THRB P10828 1/20 0.40
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
LCK P06239 1/20 0.38
ALOX15 P16050 1/20 0.37
KMT2A Q03164 2/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 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
SCHEMBL21979436 0.85 HSD17B10 (0.45) HTTALDH1A1LMNARAB9AKMT2A
SCHEMBL21979353 0.85 IDO1 (0.36) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL17494979 0.85 ALDH1A1 (0.36) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL30221828 0.84 TSHR (0.40) HTTTDP1ALDH1A1TSHRPOLB
SCHEMBL30421321 0.84 SIRT2 (0.35) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL30189886 0.84 ALDH1A1 (0.48) HTTTDP1ALDH1A1CYP3A4POLB
SCHEMBL21979443 0.84 TXNRD1 (0.38) HTTTDP1ALDH1A1TSHRIDO1
SCHEMBL21979360 0.83 ALDH1A1 (0.38) HTTALDH1A1CYP3A4IDO1LMNA
SCHEMBL30994728 0.82 ALDH1A1 (0.43) HTTALDH1A1TSHRPOLBGAA
SCHEMBL31345017 0.82 S1PR4 (0.40) HTTTDP1ALDH1A1TSHRIDO1

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 4 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
US-8163740-B2 6-substituted benzoxazines HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US 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 HTT 518/4885TDP1 1452/4885ALDH1A1 1883/4885

“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.