SCHEMBL15340931

SCHEMBL15340931

O=C(NCN1CCNCC1)C(=O)NCN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
SIGMAR1 Q99720 4/20 0.44
CHRM5 P08912 2/20 0.44
CHRM3 P20309 2/20 0.44
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHKA P35790 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
SCHEMBL15271453 0.85 NPSR1 (0.47) MEN1KMT2AHSD17B10NPSR1SIGMAR1
SCHEMBL24737682 0.83 NPSR1 (0.72) MEN1KMT2AHSD17B10NPSR1SIGMAR1
SCHEMBL11830885 0.83 HSD17B10 (0.44) MEN1KMT2AHSD17B10NPSR1SIGMAR1
SCHEMBL18629171 0.79 SIGMAR1 (0.44) MEN1KMT2AHSD17B10NPSR1SIGMAR1
SCHEMBL18628083 0.79 SIGMAR1 (0.47) MEN1KMT2AHSD17B10NPSR1SIGMAR1
SCHEMBL2733785 0.78 ALDH1A1 (0.43) MEN1KMT2AHSD17B10NPSR1SIGMAR1
SCHEMBL15329094 0.77 HSD17B10 (0.57) MEN1KMT2AHSD17B10NPSR1SIGMAR1
SCHEMBL22162647 0.75 CHRM5 (0.51) MEN1KMT2AHSD17B10NPSR1SIGMAR1
SCHEMBL29433042 0.74 SIGMAR1 (0.46) MEN1KMT2AHSD17B10NPSR1SIGMAR1
SCHEMBL6842741 0.73 DRD4 (0.59) MEN1KMT2ASIGMAR1CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2013-10-24 US disclosed
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2013-10-24 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-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA XPO1, XPOT, DDB1 MEN1 362/4885KMT2A 2104/4885HSD17B10 4014/4885

“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.