SCHEMBL3209003

SCHEMBL3209003

CC(=NNC(N)=O)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.68
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
LMNA P02545 2/20 0.62
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL11937851 1.00 CTSK (0.68) CTSKKMT2AMEN1LMNAALDH1A1
SCHEMBL3209001 1.00 CTSK (0.68) CTSKKMT2AMEN1LMNAALDH1A1
SCHEMBL20583479 0.71 LMNA (0.50) CTSKKMT2AMEN1LMNAALDH1A1
SCHEMBL20583480 0.71 LMNA (0.50) CTSKKMT2AMEN1LMNAALDH1A1
SCHEMBL24087799 0.69 MAPT (0.40) CTSKKMT2AMEN1LMNAALDH1A1
SCHEMBL24087851 0.69 MAPT (0.40) CTSKKMT2AMEN1LMNAALDH1A1
SCHEMBL24087800 0.69 MAPT (0.40) CTSKKMT2AMEN1LMNAALDH1A1
SCHEMBL24087850 0.69 MAPT (0.40) CTSKKMT2AMEN1LMNAALDH1A1
SCHEMBL6605096 0.69
SCHEMBL18840183 0.68 KMT2A (0.43) CTSKKMT2AMEN1LMNAALDH1A1

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-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 US disclosed
EP-2133331-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2009-12-16 EP 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-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, CBR1 CTSK 866/4885KMT2A 1484/4885MEN1 3974/4885
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME XDH, DAO, DDO CTSK 1212/4885KMT2A 1715/4885MEN1 4123/4885

“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.