SCHEMBL12435542

SCHEMBL12435542

CCOC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.80
MAPT P10636 8/20 0.80
MEN1 O00255 7/20 0.80
KMT2A Q03164 7/20 0.80
NPC1 O15118 1/20 0.80
MAPK1 P28482 1/20 0.80
CASP3 P42574 1/20 0.80
RAB9A P51151 1/20 0.80
SENP8 Q96LD8 1/20 0.80
SENP7 Q9BQF6 1/20 0.80
SENP6 Q9GZR1 1/20 0.80
TDP1 Q9NUW8 1/20 0.80
L3MBTL1 Q9Y468 1/20 0.80
HPGD P15428 1/20 0.69
POLB P06746 2/20 0.65
APP P05067 1/20 0.62
KDM4E B2RXH2 4/20 0.59
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
PKM P14618 1/20 0.54

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
SCHEMBL15373528 0.93 MAPT (0.91) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL19419938 0.89 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL15373530 0.88 ALDH1A1 (0.82) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL15373568 0.88 ALDH1A1 (0.80) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL14701193 0.85 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL2139678 0.83 ALDH1A1 (0.81) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL2139676 0.83 ALDH1A1 (0.81) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL4317761 0.83 ALDH1A1 (0.81) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL15373480 0.83 ALDH1A1 (0.76) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL14703185 0.82 MAPT (0.56) ALDH1A1MAPTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 ALDH1A1 545/4885MAPT 1762/4885MEN1 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 ALDH1A1 2862/4885MAPT 3689/4885MEN1 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 ALDH1A1 2862/4885MAPT 3689/4885MEN1 3272/4885
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 ALDH1A1 2862/4885MAPT 3689/4885MEN1 3272/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA ALDH1A1 194/4885MAPT 1460/4885MEN1 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.