SCHEMBL2154179

SCHEMBL2154179

CCOc1ccc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1OC

nearest known ligand 0.93

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.93
TP53 P04637 1/20 0.93
SMN1; SMN2 Q16637 1/20 0.93
P4HB P07237 8/20 0.82
MDM2 Q00987 5/20 0.82
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
GAA P10253 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
SLC2A1 P11166 1/20 0.63

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
SCHEMBL2153404 0.96 MAPT (1.00) MAPTTP53SMN1; SMN2P4HBMDM2
SCHEMBL29632645 0.96 MAPT (1.00) MAPTTP53SMN1; SMN2P4HBMDM2
SCHEMBL13836063 0.95 MAPT (0.91) MAPTTP53SMN1; SMN2P4HBMDM2
SCHEMBL15783251 0.94 MAPT (0.90) MAPTTP53SMN1; SMN2P4HBMDM2
SCHEMBL13836595 0.92 MAPT (0.85) MAPTTP53SMN1; SMN2P4HBMDM2
SCHEMBL15783087 0.91 P4HB (0.88) MAPTTP53SMN1; SMN2P4HBMDM2
SCHEMBL15783112 0.90 P4HB (0.86) MAPTTP53SMN1; SMN2P4HBMDM2
SCHEMBL9965749 0.90 P4HB (1.00) MAPTTP53SMN1; SMN2P4HBMDM2
SCHEMBL18415246 0.86 MAPT (0.82) MAPTTP53SMN1; SMN2P4HBMDM2
SCHEMBL15783083 0.86 MAPT (0.82) MAPTTP53SMN1; SMN2P4HBMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190256471-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AR (US) 2019-08-22 US disclosed
US-10301265-B2 Small molecule inhibitors of botulinum neurotoxins THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2019-05-28 US disclosed
US-9073858-B2 Methods of targeted drug development Errico, Joseph P. (US) 2015-07-07 US disclosed
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-07-10 US disclosed
US-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS Zacharon Pharmaceutical, Inc. (US) 2012-11-22 US disclosed
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2011-12-08 US disclosed
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2011-12-01 US disclosed
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2011-12-01 US disclosed
WO-2011082175-A2 GLYCOSAMINOGLYCAN INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2011-07-07 WO 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 (6 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-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 MAPT 1076/4885TP53 230/4885SMN1; SMN2 3999/4885
US-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 MAPT 4328/4885TP53 3840/4885SMN1; SMN2 4368/4885
US-10301265-B2 Small molecule inhibitors of botulinum neurotoxins RAC2, BTN3A1, GDI1 MAPT 2064/4885TP53 3978/4885SMN1; SMN2 2129/4885
US-20190256471-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS RAC2, BTN3A1, GDI1 MAPT 2064/4885TP53 3978/4885SMN1; SMN2 2129/4885
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB4 MAPT 1499/4885TP53 192/4885SMN1; SMN2 4080/4885
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS RAC2, BTN3A1, GDI1 MAPT 2064/4885TP53 3978/4885SMN1; SMN2 2129/4885

“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.