SCHEMBL3436719

SCHEMBL3436719

Cc1cccnc1N1CCC(C(=O)NCCCN(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
MALT1 Q9UDY8 4/20 0.50
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
THRB P10828 1/20 0.46
SMO Q99835 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL3436717 0.94 MALT1 (0.52) KDM4EALDH1A1HPGDMALT1POLB
SCHEMBL3436718 0.80 MALT1 (0.46) KDM4EALDH1A1MALT1POLBRXFP1
SCHEMBL23369819 0.78 THRB (0.45) KDM4EALDH1A1HPGDMALT1POLB
SCHEMBL238160 0.75 KDM4E (0.60) KDM4EALDH1A1HPGDMALT1CYP2C19
SCHEMBL13999569 0.74 ALDH1A1 (0.61) KDM4EALDH1A1HPGDMALT1CYP2C19
SCHEMBL3436393 0.74 KDM4E (0.66) KDM4EALDH1A1MALT1CYP2C19KMT2A
SCHEMBL29661220 0.73 TP53 (0.62) POLBRXFP1KMT2ALMNATP53
SCHEMBL12321043 0.73 TP53 (0.49) KDM4EALDH1A1HPGDPOLBTHRB
SCHEMBL20159507 0.73 TP53 (0.62) POLBRXFP1KMT2ALMNATP53
SCHEMBL3436733 0.73 MALT1 (0.53) KDM4EALDH1A1HPGDMALT1SMO

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
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
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 1834/4885ALDH1A1 975/4885HPGD 1166/4885

“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.