SCHEMBL3434153

SCHEMBL3434153

CN(CC(N)=O)C1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
CYP2D6 P10635 1/20 0.44
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
APLNR P35414 2/20 0.37
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 5/20 0.35

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
SCHEMBL3436141 0.90 DDB1 (0.43) KDM4EMAPTKMT2AATMDDB1
SCHEMBL3435014 0.87 DDB1 (0.41) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL8418673 0.82 DDB1 (0.46) KMT2ADDB1CRBNLMNASMN1; SMN2
SCHEMBL8418672 0.82 DDB1 (0.46) KMT2ADDB1CRBNLMNASMN1; SMN2
SCHEMBL2018032 0.80 DDB1 (0.45) KMT2ADDB1CRBNLMNASMN1; SMN2
SCHEMBL3436142 0.79 DDB1 (0.45) DDB1CRBNNOS2NOS3NOS1
SCHEMBL2018812 0.76
SCHEMBL13766336 0.74 NOS3 (0.43) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL853339 0.74 SLC6A1 (0.44) CYP2D6NOS2NOS3NOS1SLC6A1
SCHEMBL20521100 0.74 NOS2 (0.41) KDM4EMAPTKMT2AATMCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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 (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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 KDM4E 1834/4885MAPT 1330/4885KMT2A 1707/4885

“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.