SCHEMBL14680210

SCHEMBL14680210

CSc1ncc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 19/20 1.00
KDM4E B2RXH2 13/20 1.00
MEN1 O00255 13/20 1.00
KMT2A Q03164 13/20 1.00
HPGD P15428 10/20 1.00
NPSR1 Q6W5P4 6/20 1.00
THRB P10828 2/20 1.00
RECQL P46063 1/20 0.62
ALDH1A1 P00352 13/20 0.62
GAA P10253 4/20 0.57
POLB P06746 1/20 0.57
TDP1 Q9NUW8 3/20 0.56
HTT P42858 3/20 0.54
KDM4C Q9H3R0 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL13479521 0.74 NOX4 (0.60) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL9565714 0.71 MEN1 (0.55) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL9565715 0.71 MEN1 (0.55) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL18598249 0.68 MAPT (0.52) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL6231307 0.67 MAPT (0.47) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL6232667 0.65 MAPT (0.44) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL3971277 0.61 MEN1 (0.44) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL29714341 0.61 MEN1 (0.44) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL29714346 0.61 MEN1 (0.44) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL16223286 0.61 ALDH1A1 (0.56) MAPTKDM4EMEN1KMT2AHPGD

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 MAPT 1762/4885KDM4E 3258/4885MEN1 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 3689/4885KDM4E 2392/4885MEN1 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 3689/4885KDM4E 2392/4885MEN1 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 MAPT 3689/4885KDM4E 2392/4885MEN1 3272/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA MAPT 1460/4885KDM4E 2184/4885MEN1 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.