SCHEMBL3436728

SCHEMBL3436728

Cc1cccnc1N1CCC(C(=O)N[C@@H]2CCCC[C@H]2N)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 5/20 0.51
SMO Q99835 3/20 0.51
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX2 P34913 1/20 0.43
RECQL P46063 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL13999569 0.84 ALDH1A1 (0.61) MALT1SMOKDM4EALDH1A1HPGD
SCHEMBL3436733 0.79 MALT1 (0.53) MALT1SMOKDM4EALDH1A1HPGD
SCHEMBL238160 0.78 KDM4E (0.60) MALT1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3436393 0.77 KDM4E (0.66) MALT1KDM4EALDH1A1TRPV1KMT2A
SCHEMBL3436731 0.73 MALT1 (0.63) MALT1KDM4ETRPV1
SCHEMBL2804196 0.73 HSD11B1 (0.49) MALT1KDM4ETRPV1KMT2ARECQL
SCHEMBL3436717 0.72 MALT1 (0.52) MALT1SMOKDM4EALDH1A1HPGD
SCHEMBL3436725 0.72 ELANE (0.53) MALT1SMOKDM4EALDH1A1TRPV1
SCHEMBL15417778 0.71 MMP2 (0.46) ALDH1A1EPHX2RECQLCYP3A4
SCHEMBL3436719 0.71 KDM4E (0.52) MALT1SMOKDM4EALDH1A1HPGD

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 4 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

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 MALT1 1638/4885SMO 1636/4885KDM4E 1834/4885

“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.