SCHEMBL20544796

SCHEMBL20544796

NCC(NC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 6/20 0.53
GABBR1 Q9UBS5 6/20 0.53
LMNA P02545 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP1A2 P05177 2/20 0.53
THRB P10828 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
NFKB1 P19838 1/20 0.53
DRD3 P35462 1/20 0.53
BLM P54132 1/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
PHGDH O43175 1/20 0.46
CNR2 P34972 2/20 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
SCHEMBL20544752 0.86 UTS2R (0.48) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL21979535 0.84 KDM4E (0.47) GABBR2GABBR1LMNACYP2C9CYP2D6
SCHEMBL21979517 0.84 KDM4E (0.47) GABBR2GABBR1LMNACYP2C9CYP2D6
SCHEMBL8514238 0.84 KDM4E (0.47) GABBR2GABBR1LMNACYP2C9CYP2D6
SCHEMBL115980 0.83 ROCK1 (0.55) GABBR2GABBR1PHGDHKCNH2SCN5A
SCHEMBL4598191 0.83 ROCK1 (0.55) GABBR2GABBR1PHGDHKCNH2SCN5A
SCHEMBL20545427 0.83 DCAF1 (0.51) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL22805483 0.82 CNR2 (0.44) GABBR2GABBR1KDM4ECNR2
Hydrochloric Acid SCHEMBL7973435 0.81 RPS6KA5 (0.54) GABBR2GABBR1KCNH2SCN5A
SCHEMBL20544814 0.81 GABBR2 (0.44) GABBR2GABBR1LMNACYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312516-A1 Protein Kinase B Inhibitors ASTRAZENECA AB (SE) 2018-11-01 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-20180312516-A1 Protein Kinase B Inhibitors PRKAR2B, PRKCB, AKT1 GABBR2 2327/4885GABBR1 3042/4885LMNA 1518/4885

“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.