SCHEMBL14680327

SCHEMBL14680327

CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc(SCc4ccco4)o3)C(=N)N12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 19/20 0.62
▸ KMT2A Q03164 19/20 0.62
▸ MAPT P10636 16/20 0.62
▸ POLB P06746 13/20 0.62
▸ ALDH1A1 P00352 11/20 0.62
▸ KDM4E B2RXH2 8/20 0.62
▸ RECQL P46063 7/20 0.62
▸ HPGD P15428 6/20 0.62
▸ THRB P10828 5/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ CYP1A2 P05177 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ CYP2D6 P10635 2/20 0.62
▸ CYP2C9 P11712 2/20 0.62
▸ CYP2C19 P33261 2/20 0.62
▸ APEX1 P27695 1/20 0.62
▸ SAE1 Q9UBE0 1/20 0.62
▸ UBA2 Q9UBT2 1/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ NPC1 O15118 3/20 0.61

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
SCHEMBL14680180 0.71 MEN1 (0.71) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14680224 0.70 MEN1 (0.75) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL19425442 0.59 MEN1 (0.49) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL6129957 0.56 MAPT (0.44) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14599921 0.49 ALDH1A1 (0.48) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL7661780 0.49 — —
SCHEMBL1532559 0.49 ALDH1A1 (0.42) MEN1KMT2AMAPTPOLBALDH1A1
Water SCHEMBL27837138 0.48 TSHR (0.44) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL10792598 0.47 ALDH1A1 (0.41) KMT2AMAPTPOLBALDH1A1KDM4E
SCHEMBL29954227 0.47 TSHR (0.49) MEN1KMT2AMAPTPOLBALDH1A1

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-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
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 (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 MEN1 3416/4885KMT2A 3471/4885MAPT 1762/4885
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 MEN1 3272/4885KMT2A 2775/4885MAPT 3689/4885
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 MEN1 3272/4885KMT2A 2775/4885MAPT 3689/4885
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 MEN1 3272/4885KMT2A 2775/4885MAPT 3689/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA MEN1 2434/4885KMT2A 2501/4885MAPT 1460/4885

“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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