SCHEMBL4955898

SCHEMBL4955898

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
MAPT P10636 5/20 0.61
KDM4E B2RXH2 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP3A4 P08684 1/20 0.61
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
POLB P06746 3/20 0.49
HTT P42858 2/20 0.49
CSNK1D P48730 2/20 0.45
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
ILK Q13418 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1968361 0.81 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ECYP2C9CYP2C19
SCHEMBL1968562 0.76 MAPK1 (0.52) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL16311044 0.76 KMT2A (0.58) ALDH1A1MAPTKDM4ECYP2C9CYP2C19
SCHEMBL4956705 0.75 POLB (0.53) ALDH1A1MAPTKDM4ECYP2C9CYP2C19
SCHEMBL22658875 0.75 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ECYP2C9CYP2C19
SCHEMBL4960060 0.74 CTSA (0.47) ALDH1A1MAPTKDM4ECYP2C9CYP2C19
SCHEMBL4961091 0.74 TRPM8 (0.46) ALDH1A1MAPTKDM4ECYP2C9CYP2C19
SCHEMBL4956714 0.73 HPGD (0.53) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL4959888 0.72 ALDH1A1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL13224737 0.72 SMN1; SMN2 (0.56) ALDH1A1MAPTKDM4ECYP2C9CYP2C19

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 8 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
EP-1966176-A1 HETEROCYCLIC GABA-B MODULATORS AstraZeneca AB (SE) 2008-09-10 EP claimed
WO-2007073296-A1 HETEROCYCLIC GABA-B MODULATORS ASTRAZENECA AB (SE) 2007-06-28 WO 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

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 ALDH1A1 1429/4885MAPT 3842/4885KDM4E 3425/4885

“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.