SCHEMBL4956705

SCHEMBL4956705

CCOC(=O)c1nc(C(C)C)sc1NC(=O)C(CC)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 1/20 0.44

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
SCHEMBL5076846 0.81 POLB (0.54) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5073852 0.81 POLB (0.48) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31689083 0.80 POLB (0.53) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30216415 0.79 ILK (0.62) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4961258 0.77 CRHBP (0.49) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22658446 0.75 ALDH1A1 (0.43) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30216400 0.75 ILK (0.56) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4955898 0.75 ALDH1A1 (0.61) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4957314 0.73 TARBP2 (0.58) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31062501 0.73 POLB (0.71) POLBMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US claimed
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1966176-A1 HETEROCYCLIC GABA-B MODULATORS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007073296-A1 HETEROCYCLIC GABA-B MODULATORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
WO-2007073296-A1 HETEROCYCLIC GABA-B MODULATORS ASTRAZENECA AB (SE) 2007-06-28 WO 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-20080312291-A1 Heterocyclic Gaba-b Modulators GABBR1, GABBR2, GABRB1 POLB 3748/4885MEN1 4595/4885KMT2A 4075/4885

“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.