SCHEMBL7979598

SCHEMBL7979598

Oc1c(C(Nc2cccnc2)c2ccccc2F)ccc2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
P4HB P07237 3/20 0.71
TP53 P04637 2/20 0.71
USP2 O75604 1/20 0.71
LMNA P02545 1/20 0.71
THRB P10828 1/20 0.71
MDM2 Q00987 2/20 0.66
BRAF P15056 1/20 0.64
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
HSP90AA1 P07900 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
RCE1 Q9Y256 1/20 0.61

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
SCHEMBL16501078 0.84 MDM2 (0.79) MAPTP4HBMDM2BRAFKDM4E
SCHEMBL13836628 0.83 P4HB (1.00) MAPTP4HBTP53USP2LMNA
SCHEMBL9965599 0.83 MDM2 (0.67) MAPTP4HBTP53MDM2BRAF
SCHEMBL15783181 0.82 P4HB (0.73) MAPTP4HBTP53USP2LMNA
SCHEMBL21842384 0.81 P4HB (0.72) MAPTP4HBTP53USP2LMNA
SCHEMBL7994574 0.81 MDM2 (0.69) MAPTLMNAMDM2KDM4EALDH1A1
SCHEMBL16501068 0.81 MAPT (0.61) MAPTP4HBTP53LMNAMDM2
SCHEMBL16501067 0.80 MDM2 (0.76) MAPTP4HBMDM2BRAFKDM4E
SCHEMBL9962880 0.80 MDM2 (0.76) MAPTP4HBTP53MDM2BRAF
SCHEMBL7980153 0.80 MDM2 (1.00) MAPTP4HBLMNAMDM2BRAF

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 32 patents — showing the first 20. 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-9273031-B2 Combination therapy with MDM2 and EFGR inhibitors Errico, Joseph P. (US) 2016-03-01 US disclosed
US-9273031-B2 Combination therapy with MDM2 and EFGR inhibitors Errico, Joseph P. (US) 2016-03-01 US disclosed
US-9238641-B2 2016-01-19 US disclosed
US-9238641-B2 2016-01-19 US disclosed
US-9073858-B2 Methods of targeted drug development Errico, Joseph P. (US) 2015-07-07 US disclosed
US-9073858-B2 Methods of targeted drug development Errico, Joseph P. (US) 2015-07-07 US disclosed
US-9023354-B2 Combination therapy with MDM2 and EFGR inhibitors Errico, Joseph P. (US) 2015-05-05 US disclosed
US-9023354-B2 Combination therapy with MDM2 and EFGR inhibitors Errico, Joseph P. (US) 2015-05-05 US disclosed
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-02 US disclosed
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-02 US disclosed
US-20120156197-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS Errico, Joseph P. (US) 2012-06-21 US disclosed
US-20120156197-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS Errico, Joseph P. (US) 2012-06-21 US disclosed
WO-2012012653-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS ERRICO JOSEPH P (US) 2012-01-26 WO disclosed
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2011-12-08 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-2009151972-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS , THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2009-12-17 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-20120156197-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 MAPT 3015/4885P4HB 4025/4885TP53 1/4885
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 MAPT 1076/4885P4HB 2320/4885TP53 230/4885
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists HAMP, SLC40A1, FTH1 MAPT 4808/4885P4HB 1974/4885TP53 4470/4885
US-10301265-B2 Small molecule inhibitors of botulinum neurotoxins RAC2, BTN3A1, GDI1 MAPT 2064/4885P4HB 2999/4885TP53 3978/4885
US-20190256471-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS RAC2, BTN3A1, GDI1 MAPT 2064/4885P4HB 2999/4885TP53 3978/4885
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS RAC2, BTN3A1, GDI1 MAPT 2064/4885P4HB 2999/4885TP53 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.