SCHEMBL2128908

SCHEMBL2128908

COc1cccc(C(C)(C)CBr)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
NFE2L2 Q16236 5/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
MAPK1 P28482 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL20153912 0.84 SMN1; SMN2 (0.46) SMN1; SMN2NFE2L2GAACA12CA1
SCHEMBL11480225 0.82 SMN1; SMN2 (0.44) SMN1; SMN2NFE2L2GAACA12CA1
SCHEMBL31438691 0.79 SMN1; SMN2 (0.47) SMN1; SMN2NFE2L2CA12CA1CA2
SCHEMBL8417921 0.79 SMN1; SMN2 (0.47) SMN1; SMN2NFE2L2CA12CA1CA2
SCHEMBL5164827 0.76 NFE2L2 (0.44) SMN1; SMN2NFE2L2CA12CA1CA2
SCHEMBL1884282 0.76 SMN1; SMN2 (0.44) SMN1; SMN2NFE2L2GAACA12CA1
SCHEMBL5706508 0.76 CA1 (0.46) SMN1; SMN2NFE2L2CA12CA1CA2
SCHEMBL18537139 0.76 SMN1; SMN2 (0.44) SMN1; SMN2NFE2L2GAACA12CA1
SCHEMBL7713403 0.74 SMN1; SMN2 (0.43) SMN1; SMN2NFE2L2GAACA12CA1
SCHEMBL29749364 0.73 AR (0.49) SMN1; SMN2NFE2L2CA12CA1CA2

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-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B SMN1; SMN2 3561/4885NFE2L2 1858/4885GAA 1969/4885

“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.