SCHEMBL13164129

SCHEMBL13164129

CCn1c(=O)oc2ccc(CN)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 4/20 0.50
▸ IDO1 P14902 3/20 0.50
▸ PDE10A Q9Y233 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ CD74 P04233 3/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 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
SCHEMBL8180452 0.87 MIF (0.63) MIFIDO1PDE10AKMT2ACD74
SCHEMBL8186771 0.84 MIF (0.50) MIFIDO1PDE10AKMT2ACD74
SCHEMBL10160042 0.82 MIF (0.48) MIFIDO1PDE10AKMT2ACD74
SCHEMBL8252252 0.81 CA12 (0.46) MIFIDO1KMT2ACD74MEN1
SCHEMBL30630697 0.81 CA12 (0.46) MIFIDO1KMT2ACD74MEN1
SCHEMBL10210706 0.81 IDO1 (0.50) MIFIDO1PDE10AKMT2ACD74
SCHEMBL13367744 0.79 MIF (0.66) MIFKMT2ACD74MEN1POLB
SCHEMBL6425871 0.78 IDO1 (0.69) IDO1ALDH1A1
SCHEMBL30336433 0.78 SIGMAR1 (0.53) MIFIDO1PDE10AKMT2ACD74
SCHEMBL616373 0.78 SIGMAR1 (0.53) MIFIDO1PDE10AKMT2ACD74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 — — US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 — — US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 — — US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 — — US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — 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 (3 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 MIF 218/4885IDO1 374/4885PDE10A 2561/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MIF 218/4885IDO1 374/4885PDE10A 2561/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MIF 218/4885IDO1 374/4885PDE10A 2561/4885

“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.

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