SCHEMBL14680220

SCHEMBL14680220

O=C(O)C(Cc1ccccc1)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 1.00
▸ MEN1 O00255 9/20 1.00
▸ KMT2A Q03164 9/20 1.00
▸ POLB P06746 8/20 1.00
▸ L3MBTL1 Q9Y468 7/20 1.00
▸ USP2 O75604 7/20 1.00
▸ KDM4E B2RXH2 6/20 1.00
▸ RECQL P46063 6/20 1.00
▸ BLM P54132 5/20 1.00
▸ ALDH1A1 P00352 5/20 1.00
▸ THRB P10828 4/20 1.00
▸ TDP1 Q9NUW8 4/20 1.00
▸ PSMD14 O00487 1/20 1.00
▸ MMP2 P08253 1/20 1.00
▸ NSD2 O96028 3/20 0.79
▸ ALPL P05186 3/20 0.79
▸ APAF1 O14727 1/20 0.79
▸ SAE1 Q9UBE0 1/20 0.79
▸ UBA2 Q9UBT2 1/20 0.79
▸ DUSP3 P51452 1/20 0.74

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
SCHEMBL26458902 1.00 MAPT (1.00) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL18598496 0.91 MAPT (0.83) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL14680251 0.88 MAPT (0.78) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL14680229 0.81 MAPT (1.00) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL20705581 0.80 MAPT (0.67) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL19425501 0.79 DUSP3 (0.72) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL13894970 0.78 DUSP3 (0.71) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL5991599 0.78 MEN1 (0.75) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL19425506 0.78 DUSP3 (0.71) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL20705618 0.77 MAPT (0.63) MAPTMEN1KMT2APOLBL3MBTL1

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 8 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-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

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

For each of this compound's patents that has machine-readable text (4 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 1762/4885MEN1 3416/4885KMT2A 3471/4885
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 3689/4885MEN1 3272/4885KMT2A 2775/4885
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 3689/4885MEN1 3272/4885KMT2A 2775/4885
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 3689/4885MEN1 3272/4885KMT2A 2775/4885

“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.

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