SCHEMBL4224722

SCHEMBL4224722

Cc1ccc(NC(=O)CBr)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 3/20 0.45
RECQL P46063 1/20 0.45
ACP1 P24666 1/20 0.45
PTPN7 P35236 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
DRD4 P21917 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 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
SCHEMBL13384768 0.86 CYP1A2 (0.58) POLBALDH1A1KMT2ARECQLACP1
SCHEMBL7930538 0.85 POLB (0.50) POLBALDH1A1KMT2ARECQLACP1
SCHEMBL29177229 0.82 ALDH1A1 (0.50) POLBALDH1A1KMT2ARECQLACP1
SCHEMBL4219043 0.82 GRM4 (0.54) ALDH1A1CYP1A2CYP2C19KDM4EHPGD
SCHEMBL22078587 0.81 ALDH1A1 (0.65) ALDH1A1KMT2ACYP2C19MAPTKDM4E
SCHEMBL8533501 0.80 POLB (0.76) POLBALDH1A1KMT2AGAALMNA
SCHEMBL29688982 0.80 POLB (0.76) POLBALDH1A1KMT2AGAALMNA
SCHEMBL9300058 0.78 ALDH1A1 (0.59) POLBALDH1A1KMT2AGAALMNA
SCHEMBL31415368 0.75 CA12 (0.52) ALDH1A1GAA
SCHEMBL4003419 0.74 ALDH1A1 (0.69) POLBALDH1A1KMT2ARECQLLMNA

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-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
WO-2007104775-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-09-20 WO disclosed
WO-2007104776-A1 N-PHENYL-2-0X0-1,4-DIAZASPIR0 [4.5] DEC-3-EN-1-YL ACETAMIDE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-09-20 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 (2 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-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof SLC18A2, SLC1A2, SLC1A1 POLB 3879/4885ALDH1A1 974/4885KMT2A 1514/4885
US-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC6A3 POLB 3592/4885ALDH1A1 410/4885KMT2A 1659/4885

“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.