SCHEMBL4369976

SCHEMBL4369976

O=C1COCN(Cc2ccccc2)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41
GSK3A P49840 3/20 0.41
GSK3B P49841 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
EPHX2 P34913 1/20 0.40
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 2/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL11136048 0.75 GAA (1.00) GAADDB1CRBNF2PLG
SCHEMBL5963434 0.71 L3MBTL1 (0.49) GAADDB1CRBNF2PLG
SCHEMBL29607448 0.71 GAA (0.78) GAADDB1CRBNGSK3AGSK3B
SCHEMBL11620172 0.67 ELANE (0.57) GAAF2PLGELANECTSG
SCHEMBL8489655 0.64 GAA (0.50) GAADDB1CRBNF2PLG
SCHEMBL8553203 0.64 GAA (0.50) GAADDB1CRBNF2PLG
SCHEMBL9445305 0.64 GAA (0.50) GAADDB1CRBNF2PLG
SCHEMBL7473989 0.64 GAA (0.50) GAADDB1CRBNF2PLG
SCHEMBL1671165 0.63 EPHX2 (0.56) GAADDB1CRBNF2PLG
SCHEMBL31339088 0.62 GAA (0.47) GAADDB1CRBNF2PLG

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
US-7625897-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
EP-1937651-B1 NNRT INHIBITORS HOFFMANN LA ROCHE (CH) 2008-12-24 EP disclosed
EP-1937651-A1 NNRT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2007039463-A1 NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070078128-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-05 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-20070078128-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, HPRT1, RTF1 GAA 823/4885DDB1 2033/4885CRBN 3670/4885

“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.