SCHEMBL5567673

SCHEMBL5567673

NC(=O)C1CCCCC1NC(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.51
SMYD3 Q9H7B4 2/20 0.49
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
GAA P10253 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
KDM1A O60341 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
KDM1B Q8NB78 2/20 0.46
RCOR1 Q9UKL0 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL5564619 0.98 USP30 (0.51) USP30SMYD3HDAC8HDAC6GAA
SCHEMBL5567680 0.85 SMYD3 (0.54) USP30SMYD3HDAC8HDAC6GAA
SCHEMBL4691942 0.84 F10 (0.58) NPC1RAB9ATP53MAPK1SMN1; SMN2
SCHEMBL5564623 0.82 SMYD3 (0.54) USP30SMYD3HDAC8HDAC6GAA
SCHEMBL4690484 0.82 F10 (0.61) NPC1RAB9ATP53MAPK1SMN1; SMN2
SCHEMBL4742421 0.81 F10 (0.59) SMYD3KDM1AMAOAMAOBRCOR1
SCHEMBL15866466 0.79 NPC1 (0.68) USP30SMYD3GAAKDM4ENPC1
SCHEMBL4694872 0.79 RAB9A (0.67) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL5432613 0.78 F10 (0.57) SMYD3KDM1AMAOAMAOBRCOR1
SCHEMBL5435543 0.78 F10 (0.59) SMYD3NPC1RAB9AALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670739-A4 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP claimed
EP-1670739-A2 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-21 EP claimed
US-20050085511-A1 Cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-04-21 US claimed
WO-2005032490-A2 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO claimed
EP-1670739-A4 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP disclosed
US-7115646-B2 Cyclic diamines and derivatives as factor Xa inhibitors BRISTOL MYERS SQUIBB, CO. (US) 2006-10-03 US disclosed
EP-1670739-A2 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-21 EP disclosed
US-20050085511-A1 Cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-04-21 US disclosed
WO-2005032490-A2 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 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 (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-20050085511-A1 Cyclic diamines and derivatives as factor Xa inhibitors TFPI, SERPINC1, F12 USP30 4232/4885SMYD3 2684/4885HDAC8 836/4885

“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.