SCHEMBL959879

SCHEMBL959879

CC1(C)OB(c2cccc(C(=O)NCCC#N)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PRKD1 Q15139 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53BP1 Q12888 2/20 0.39
LIPG Q9Y5X9 2/20 0.39
LPL P06858 1/20 0.39
GUSB P08236 1/20 0.38
P4HB P07237 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL31449957 0.85 L3MBTL1 (0.59) CA1CA2CA9L3MBTL1SMN1; SMN2
SCHEMBL3337290 0.85 L3MBTL1 (0.46) CA1CA2CA9L3MBTL1SMN1; SMN2
SCHEMBL15550038 0.85 CA1 (0.57) CA1CA2CA9LIPGLPL
SCHEMBL14189767 0.84 CA1 (0.45) CA1CA2CA9L3MBTL1SMN1; SMN2
SCHEMBL29588581 0.83 HPGD (0.49) CA1CA2CA9L3MBTL1SMN1; SMN2
SCHEMBL3322095 0.82 LIPG (0.47) CA1CA2CA9L3MBTL1SMN1; SMN2
SCHEMBL1679566 0.82 ALDH1A1 (0.45) CA1CA2CA9L3MBTL1SMN1; SMN2
SCHEMBL2802061 0.81 SMN1; SMN2 (0.47) CA1CA2CA9L3MBTL1SMN1; SMN2
SCHEMBL1679704 0.80 ALDH1A1 (0.48) CA1CA2L3MBTL1SMN1; SMN2MEN1
SCHEMBL2822476 0.80 HPGD (0.47) L3MBTL1SMN1; SMN2TP53BP1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 CA1 1138/4885CA2 907/4885CA9 1472/4885

“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.