SCHEMBL14680296

SCHEMBL14680296

C=CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)C(=O)NC1=S

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 15/20 0.64
MEN1 O00255 13/20 0.64
ALDH1A1 P00352 13/20 0.64
MAPT P10636 13/20 0.64
LMNA P02545 6/20 0.64
KDM4E B2RXH2 4/20 0.64
NPSR1 Q6W5P4 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
GAA P10253 3/20 0.64
MAPK1 P28482 2/20 0.64
NTSR1 P30989 1/20 0.64
SIRT1 Q96EB6 2/20 0.59
SIRT5 Q9NXA8 2/20 0.59
HPGD P15428 9/20 0.56
POLB P06746 6/20 0.56
L3MBTL1 Q9Y468 5/20 0.56
PKM P14618 3/20 0.56
TP53 P04637 1/20 0.56
MCL1 Q07820 1/20 0.56
RECQL P46063 4/20 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
SCHEMBL14680172 0.81 SIRT1 (0.70) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL29323764 0.79 MEN1 (1.00) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL14712889 0.77 SIRT1 (0.58) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL10095181 0.73 MEN1 (0.78) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL5994165 0.72 KMT2A (0.80) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL14015181 0.71 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL13479537 0.70 KMT2A (0.64) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL13479510 0.70 KMT2A (0.71) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL13410799 0.69 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL16542994 0.68 KMT2A (0.80) KMT2AMEN1ALDH1A1MAPTLMNA

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
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

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 KMT2A 3471/4885MEN1 3416/4885ALDH1A1 545/4885
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 KMT2A 2775/4885MEN1 3272/4885ALDH1A1 2862/4885
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 KMT2A 2775/4885MEN1 3272/4885ALDH1A1 2862/4885
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 KMT2A 2775/4885MEN1 3272/4885ALDH1A1 2862/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA KMT2A 2501/4885MEN1 2434/4885ALDH1A1 194/4885

“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.