SCHEMBL15329034

SCHEMBL15329034

O=S(=O)(O)c1ccc(N=Nc2ccc(N=Nc3c(O)nc4ccccc4c3O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
CYP2D6 P10635 1/20 0.58
GLO1 Q04760 1/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 3/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
ATIC P31939 1/20 0.44
ENPP2 Q13822 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CDK1 P06493 2/20 0.43
CDK2 P24941 2/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 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
SCHEMBL11696248 0.85 THRB (0.51) POLBCYP2D6GLO1KMT2AMEN1
SCHEMBL11696241 0.85 THRB (0.51) POLBCYP2D6GLO1KMT2AMEN1
SCHEMBL10488771 0.83 MEN1 (0.42) POLBCYP2D6GLO1KMT2AMEN1
SCHEMBL10488773 0.83 MEN1 (0.42) POLBCYP2D6GLO1KMT2AMEN1
SCHEMBL18718097 0.81 POLB (0.38) POLBCYP2D6GLO1KMT2AMEN1
SCHEMBL7775236 0.80 IDO1 (0.51) POLBKMT2AMEN1MAPTTDP1
SCHEMBL6563719 0.75 POLB (1.00) POLBCYP2D6GLO1KMT2AMEN1
SCHEMBL408153 0.75 POLB (1.00) POLBCYP2D6GLO1KMT2AMEN1
SCHEMBL29291613 0.75 THRB (0.46) POLBGLO1KMT2AMEN1MAPT
SCHEMBL11336943 0.75 MAPT (0.80) POLBCYP2D6GLO1KMT2AMEN1

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-9616051-B2 Drug targets to overcome de novo drug-resistance in multiple myeloma H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 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 POLB 736/4885CYP2D6 2217/4885GLO1 4351/4885

“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.