SCHEMBL509011

SCHEMBL509011

CC(C)[Si](OC[C@H](O)COCc1ccccc1)(C(C)C)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
TSHR P16473 2/20 0.48
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
AGER Q15109 1/20 0.46
CA4 P22748 1/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RGS12 O14924 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
PRMT5 O14744 1/20 0.43

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
SCHEMBL16756934 0.84 CA1 (0.50) CA1CA2CA7CA9TSHR
SCHEMBL397022 0.83 CA1 (0.78) CA1CA2CA7CA9TSHR
SCHEMBL19890114 0.79 CA1 (0.56) CA1CA2CA7CA9TSHR
SCHEMBL21131995 0.79 CA1 (0.56) CA1CA2CA7CA9TSHR
SCHEMBL4981492 0.79 CA1 (0.56) CA1CA2CA7CA9TSHR
SCHEMBL31390773 0.79 CA1 (0.62) CA1CA2CA7CA9TSHR
SCHEMBL5333780 0.78 CA1 (0.66) CA1CA2CA7CA9TSHR
SCHEMBL9661261 0.78 CA1 (0.66) CA1CA2CA7CA9TSHR
SCHEMBL15764380 0.78 CA1 (0.66) CA1CA2CA7CA9TSHR
SCHEMBL2029906 0.77 TSHR (0.56) CA1CA2TSHRKMT2AMEN1

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
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 US disclosed
EP-2459571-B1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2015-03-11 EP disclosed
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 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-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY NOX5, MT-ND5, NQO1 CA1 4882/4885CA2 3939/4885CA7 3715/4885

“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.