SCHEMBL2153124

SCHEMBL2153124

Cc1ccnc(NC(c2ccc3cccnc3c2O)c2c(C)cc(C)cc2C)c1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P4HB P07237 9/20 0.82
MAPT P10636 3/20 0.74
TP53 P04637 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
MDM2 Q00987 5/20 0.71
KDM4E B2RXH2 1/20 0.71
ALDH1A1 P00352 1/20 0.71
GAA P10253 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
MDM4 O15151 1/20 0.68

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
SCHEMBL22750970 0.90 MAPT (0.82) P4HBMAPTTP53SMN1; SMN2MDM2
SCHEMBL27376361 0.87 MDM2 (0.81) P4HBMAPTTP53SMN1; SMN2MDM2
SCHEMBL9965576 0.87 P4HB (0.81) P4HBMAPTTP53SMN1; SMN2MDM2
SCHEMBL13836560 0.87 P4HB (0.84) P4HBMAPTTP53SMN1; SMN2MDM2
SCHEMBL12297848 0.85 MAPT (0.84) P4HBMAPTTP53SMN1; SMN2MDM2
SCHEMBL15783250 0.85 MAPT (0.77) P4HBMAPTTP53SMN1; SMN2MDM2
SCHEMBL15783168 0.85 MAPT (1.00) P4HBMAPTTP53SMN1; SMN2MDM2
SCHEMBL15783172 0.85 P4HB (0.81) P4HBMAPTTP53SMN1; SMN2MDM2
SCHEMBL15783140 0.85 MDM2 (0.77) P4HBMAPTTP53SMN1; SMN2MDM2
SCHEMBL9962888 0.84 P4HB (0.79) P4HBMAPTTP53SMN1; SMN2MDM2

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-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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS Zacharon Pharmaceutical, Inc. (US) 2012-11-22 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 (4 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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 P4HB 590/4885MAPT 4328/4885TP53 3840/4885
US-10301265-B2 Small molecule inhibitors of botulinum neurotoxins RAC2, BTN3A1, GDI1 P4HB 2999/4885MAPT 2064/4885TP53 3978/4885
US-20190256471-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS RAC2, BTN3A1, GDI1 P4HB 2999/4885MAPT 2064/4885TP53 3978/4885
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS RAC2, BTN3A1, GDI1 P4HB 2999/4885MAPT 2064/4885TP53 3978/4885

“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.