SCHEMBL1820109

SCHEMBL1820109

CN(C(=O)OCl)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LIPE Q05469 2/20 0.47
KDM4E B2RXH2 1/20 0.46
FAAH O00519 1/20 0.44
PHGDH O43175 1/20 0.44
MGLL Q99685 1/20 0.44
CA12 O43570 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
SCHEMBL23064984 0.81 RAB9A (0.54) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL491229 0.81 RAB9A (0.54) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL1838819 0.79 RAB9A (0.53) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL514386 0.79 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL5006624 0.79 CHRNB2 (0.58) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL16667634 0.78 RAB9A (0.54) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL3276088 0.78 RAB9A (0.75) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL8045691 0.78 RAB9A (0.56) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL442790 0.76 CHRNB2 (0.59) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL7200107 0.76 RAB9A (0.57) RAB9ASMN1; SMN2NPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 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-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 RAB9A 699/4885SMN1; SMN2 598/4885NPC1 2196/4885

“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.