SCHEMBL13286830

SCHEMBL13286830

O=C(NCCNC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
LMNA P02545 3/20 0.65
TDP1 Q9NUW8 3/20 0.65
ALDH1A1 P00352 2/20 0.65
MAPT P10636 2/20 0.65
POLB P06746 2/20 0.65
GAA P10253 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
NSD2 O96028 1/20 0.65
ALPL P05186 1/20 0.65
ALPI P09923 1/20 0.65
ALPG P10696 1/20 0.65
APEX1 P27695 1/20 0.65
HTT P42858 1/20 0.65
RECQL P46063 1/20 0.65
BLM P54132 1/20 0.65
CASP6 P55212 1/20 0.65
TOP1 P11387 3/20 0.55
TOP2A P11388 3/20 0.55
TOP2B Q02880 3/20 0.55

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
SCHEMBL16155100 0.94 KDM4E (0.59) KDM4ELMNATDP1ALDH1A1MAPT
SCHEMBL13286803 0.91 KDM4E (0.61) KDM4ELMNATDP1ALDH1A1MAPT
SCHEMBL16784750 0.91 KDM4E (0.61) KDM4ELMNATDP1ALDH1A1MAPT
SCHEMBL24871959 0.90 KDM4E (0.59) KDM4ELMNATDP1ALDH1A1MAPT
SCHEMBL1669128 0.90 KDM4E (0.59) KDM4ELMNATDP1ALDH1A1MAPT
SCHEMBL24871961 0.90 KDM4E (0.59) KDM4ELMNATDP1ALDH1A1MAPT
SCHEMBL20206982 0.88 KDM4E (0.57) KDM4ELMNATDP1ALDH1A1MAPT
SCHEMBL15907396 0.87 BLM (0.56) KDM4ELMNATDP1ALDH1A1MAPT
SCHEMBL3187456 0.86 FABP4 (0.56) KDM4ELMNATDP1ALDH1A1MAPT
SCHEMBL9951399 0.86 FABP4 (0.56) KDM4ELMNATDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527878-B2 Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-12-27 US disclosed
US-20160009748-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AND METHODS OF USE THEREOF TO MODULATE LIPID METABOLISM THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-01-14 US disclosed
US-9120744-B2 Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-01 US disclosed
US-9120744-B2 Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-01 US disclosed
US-20100137194-A1 Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2010-06-03 US disclosed
US-20100137194-A1 Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2010-06-03 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 (2 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-20100137194-A1 Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism SERPINE1, PLAT, SERPINB1 KDM4E 3907/4885LMNA 1156/4885TDP1 2746/4885
US-20160009748-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AND METHODS OF USE THEREOF TO MODULATE LIPID METABOLISM SERPINE1, PLAT, SERPINB1 KDM4E 3907/4885LMNA 1156/4885TDP1 2746/4885

“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.