SCHEMBL6001607

SCHEMBL6001607

O=c1oc2c(-c3cccc(Cl)c3)cc(O)cc2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.72
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
MIF P14174 1/20 0.46
EGFR P00533 4/20 0.44
ABL1 P00519 1/20 0.44
ABL2 P42684 1/20 0.44
SRC P12931 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
PIK3CA P42336 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
PGR P06401 1/20 0.39
CA2 P00918 1/20 0.38

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
SCHEMBL6001366 0.85 MAPT (0.68) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL15503719 0.84 MAPT (1.00) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL6001485 0.84 MAPT (0.72) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL6001497 0.84 MAPT (0.72) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL6000117 0.82 MAPT (0.69) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL6000158 0.80 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL6000098 0.80 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL6001575 0.78 MAPT (0.56) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL31196638 0.76 MAPT (0.68) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL5307613 0.76 MAPT (0.68) MAPTKMT2AMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060234987-A1 Neuroprotective benzo 1 3 oxathiol 2 ones JAQUITH JAMES B 2006-10-19 US claimed
WO-2005012281-A1 NEUROPROTECTIVE BENZO[1,3]OXATHOL-2-ONES AEGERA THERAPEUTICS INC. (CA) 2005-02-10 WO claimed
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
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-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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
EP-3138838-A1 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) 2017-03-08 EP 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-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-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-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
WO-2011094708-A2 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATIING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC (US) 2011-08-04 WO disclosed
US-20060234987-A1 Neuroprotective benzo 1 3 oxathiol 2 ones JAQUITH JAMES B 2006-10-19 US disclosed
WO-2005012281-A1 NEUROPROTECTIVE BENZO[1,3]OXATHOL-2-ONES AEGERA THERAPEUTICS INC. (CA) 2005-02-10 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 MAPT 1762/4885KMT2A 3471/4885MEN1 3416/4885
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 MAPT 3689/4885KMT2A 2775/4885MEN1 3272/4885
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 MAPT 3689/4885KMT2A 2775/4885MEN1 3272/4885
US-20060234987-A1 Neuroprotective benzo 1 3 oxathiol 2 ones NLN, SMN1; SMN2, TXN2 MAPT 204/4885KMT2A 4306/4885MEN1 4526/4885
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 MAPT 3689/4885KMT2A 2775/4885MEN1 3272/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA MAPT 1460/4885KMT2A 2501/4885MEN1 2434/4885

“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.