SCHEMBL4063564

SCHEMBL4063564

O=C(c1ccc(Cl)cc1)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
CYP2C19 P33261 1/20 0.65
MGLL Q99685 13/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
HTT P42858 1/20 0.56
FAAH O00519 1/20 0.54

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
SCHEMBL2848087 0.91 SMN1; SMN2 (0.77) SMN1; SMN2NPC1RAB9ACYP2C19MGLL
SCHEMBL9256664 0.88 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL14335634 0.88 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MGLL
SCHEMBL9253050 0.85 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MGLL
SCHEMBL8166283 0.83 HTT (0.69) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL188053 0.82 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL205216 0.82 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
Hydrochloric Acid SCHEMBL3097843 0.80 SMN1; SMN2 (0.97) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL8600930 0.80 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL6350413 0.80 SMN1; SMN2 (0.75) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
EP-2016077-A2 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-01-21 EP disclosed
WO-2007125315-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
EP-1812003-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2007-08-01 EP disclosed
WO-2006046023-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-04 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-20090253718-A1 Pharmaceutical Compounds GRK3, CNKSR1, CSNK1G3 SMN1; SMN2 1448/4885NPC1 1129/4885RAB9A 1693/4885
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors OXSR1, CDK1, CDK3 SMN1; SMN2 3006/4885NPC1 3269/4885RAB9A 3680/4885

“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.