SCHEMBL5962397

SCHEMBL5962397

CC(=O)Nc1ccc(SC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ HTT P42858 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ GAA P10253 1/20 0.54
▸ KMT2A Q03164 6/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CA12 O43570 1/20 0.53
▸ BRD4 O60885 1/20 0.53
▸ NR1I2 O75469 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ MB P02144 1/20 0.53
▸ CYP1A1 P04798 1/20 0.53
▸ CA3 P07451 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ RARG P13631 1/20 0.53
▸ TSHR P16473 1/20 0.53

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
SCHEMBL9187018 0.83 KIF11 (0.63) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL13817784 0.83 L3MBTL1 (0.70) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL19924413 0.81 SMN1; SMN2 (0.52) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL21775943 0.81 GAA (0.51) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL10294654 0.80 MAPT (0.53) SMN1; SMN2HTTGAAKMT2AMEN1
SCHEMBL13945734 0.80 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AMEN1MAPTCA12
SCHEMBL10294625 0.80 KMT2A (0.59) SMN1; SMN2HTTGAAKMT2AMEN1
SCHEMBL21750703 0.80 GAA (0.50) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL5026270 0.79 SMN1; SMN2 (0.64) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL3959278 0.79 SMN1; SMN2 (0.64) SMN1; SMN2HTTL3MBTL1GAAKMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172821-B2 Histone deacetylase inhibitors President & Fellows of Harvard College Dana-Farber Cancer Institute, Inc. (US) 2019-01-08 — — US disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 — — US disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 — — US disclosed
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 — — US disclosed
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 — — US disclosed
US-20160143874-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2016-05-26 — — US disclosed
US-9199923-B2 Histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-01 — — US disclosed
US-20150038581-A1 HISTONE DEACETYLASE INHIBITORS Harvard University & Medical School 2015-02-05 — — US disclosed
US-20140213620-A1 HISTONE DEACETYLASE INHIBITORS BRADNER JAMES ELLIOT (US) 2014-07-31 — — US disclosed
US-8754237-B2 Bifunctional histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-17 — — US disclosed
US-20130018103-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-01-17 — — US disclosed
US-8304451-B2 Histone deacetylase and tubulin deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-06 — — US disclosed
US-8222423-B2 Bifunctional histone deacetylase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-07-17 — — US disclosed
US-8178579-B2 Histone deacetylase inhibitors; anticancer agents; antiprotozoa agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-15 — — US disclosed
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2010-03-04 — — US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 — — US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 — — US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 — — US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 — — US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 — — 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 (11 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-20130018103-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 SMN1; SMN2 4590/4885HTT 904/4885L3MBTL1 1131/4885
US-20140213620-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 SMN1; SMN2 2955/4885HTT 1108/4885L3MBTL1 1534/4885
US-20160143874-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 SMN1; SMN2 2306/4885HTT 1048/4885L3MBTL1 991/4885
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 SMN1; SMN2 4590/4885HTT 904/4885L3MBTL1 1131/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 SMN1; SMN2 3990/4885HTT 78/4885L3MBTL1 2995/4885
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 SMN1; SMN2 2955/4885HTT 1108/4885L3MBTL1 1534/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 SMN1; SMN2 3947/4885HTT 3375/4885L3MBTL1 3681/4885
US-20150038581-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 SMN1; SMN2 2955/4885HTT 1108/4885L3MBTL1 1534/4885
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 SMN1; SMN2 2955/4885HTT 1108/4885L3MBTL1 1534/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 SMN1; SMN2 3819/4885HTT 3406/4885L3MBTL1 3510/4885
US-10172821-B2 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC7 SMN1; SMN2 2955/4885HTT 1108/4885L3MBTL1 1534/4885

“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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