Sugi Predict

Sugi Predict / Compounds / SCHEMBL1104631

SCHEMBL1104631

SCHEMBL1104631

Cn1cnc2ncc(/C=C/Cc3ccccc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.37
▸ GRM5 P41594 2/20 0.36
▸ ATP4A P20648 2/20 0.36
▸ ATP4B P51164 2/20 0.36
▸ DPP4 P27487 1/20 0.34
▸ IP6K1 Q92551 2/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LTA4H P09960 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31

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
SCHEMBL13750010 0.80 HDAC1 (0.33) KDM4EHDAC1HDAC8NPC1RAB9A
SCHEMBL23677943 0.73 HDAC1 (0.35) KDM4EHDAC1HDAC8TRPA1
SCHEMBL31068643 0.72 NPC1 (0.47) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL14294456 0.66 NPC1 (0.43) GRM5KDM4EKMT2AMEN1NPC1
SCHEMBL1892917 0.66 MAOB (0.67) MAOBKDM4ELTA4HKMT2AMEN1
SCHEMBL4256257 0.66 MAOB (0.67) MAOBKDM4ELTA4HKMT2AMEN1
SCHEMBL163963 0.66 MAOB (0.67) MAOBKDM4ELTA4HKMT2AMEN1
Fluoride SCHEMBL28109078 0.65 MAOB (0.64) MAOBKDM4ELTA4HKMT2AMEN1
SCHEMBL1104627 0.64 MAOB (0.47) MAOBATP4AATP4BLTA4HHDAC1
SCHEMBL7916582 0.64 HRH4 (0.38) GRM5KDM4EKMT2ANPC1RAB9A

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-8173646-B2 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-05-08 — — US disclosed
US-8153652-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-04-10 — — US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 — — US disclosed
US-20110190283-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-08-04 — — US disclosed
US-20110098277-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-04-28 — — 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-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF MAOB 1085/4885GRM5 4628/4885ATP4A 2636/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 MAOB 1017/4885GRM5 4751/4885ATP4A 1474/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 MAOB 546/4885GRM5 4738/4885ATP4A 1343/4885

“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.