SCHEMBL9965749

SCHEMBL9965749

COc1ccc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P4HB P07237 7/20 1.00
MDM2 Q00987 5/20 1.00
MAPT P10636 3/20 0.82
TP53 P04637 2/20 0.82
SMN1; SMN2 Q16637 2/20 0.82
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
GAA P10253 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
L3MBTL1 Q9Y468 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
SCHEMBL15783251 0.93 MAPT (0.90) P4HBMDM2MAPTTP53SMN1; SMN2
SCHEMBL15783087 0.93 P4HB (0.88) P4HBMDM2MAPTTP53SMN1; SMN2
SCHEMBL15783112 0.93 P4HB (0.86) P4HBMDM2MAPTTP53SMN1; SMN2
SCHEMBL2154179 0.90 MAPT (0.93) P4HBMDM2MAPTTP53SMN1; SMN2
SCHEMBL2153404 0.90 MAPT (1.00) P4HBMDM2MAPTTP53SMN1; SMN2
SCHEMBL29632645 0.90 MAPT (1.00) P4HBMDM2MAPTTP53SMN1; SMN2
SCHEMBL9962888 0.88 P4HB (0.79) P4HBMDM2MAPTTP53SMN1; SMN2
SCHEMBL13836595 0.87 MAPT (0.85) P4HBMDM2MAPTTP53SMN1; SMN2
SCHEMBL13836063 0.87 MAPT (0.91) P4HBMDM2MAPTTP53SMN1; SMN2
SCHEMBL19419950 0.87 MDM2 (0.77) P4HBMDM2MAPTTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 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-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 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-20150105412-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS ERRICO, JOSEPH P. 2015-04-16 US disclosed
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-07-10 US disclosed
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-12 US disclosed
US-20140134163-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS Errico, Joseph P. (US) 2014-05-15 US disclosed
US-8658170-B2 Combination therapy with MDM2 and EFGR inhibitors Errico, Joseph P. (US) 2014-02-25 US disclosed
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2013-02-07 US disclosed
US-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS Zacharon Pharmaceutical, Inc. (US) 2012-11-22 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
WO-2011085126-A2 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT ERRICO JOSEPH P 2011-07-14 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 (10 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 P4HB 4025/4885MDM2 3/4885MAPT 3015/4885
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 P4HB 2320/4885MDM2 448/4885MAPT 1076/4885
US-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 P4HB 590/4885MDM2 3001/4885MAPT 4328/4885
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 P4HB 2500/4885MDM2 354/4885MAPT 1268/4885
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 P4HB 3707/4885MDM2 263/4885MAPT 3689/4885
US-20150105412-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 P4HB 4025/4885MDM2 3/4885MAPT 3015/4885
US-20140134163-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 P4HB 4025/4885MDM2 3/4885MAPT 3015/4885
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders MCL1, BCL2, BCL2L1 P4HB 3707/4885MDM2 263/4885MAPT 3689/4885
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 P4HB 3707/4885MDM2 263/4885MAPT 3689/4885
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB4 P4HB 2095/4885MDM2 288/4885MAPT 1499/4885

“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.