SCHEMBL5962424

SCHEMBL5962424

CC(C)Sc1nnnn1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.66
▸ LMNA P02545 6/20 0.55
▸ TSHR P16473 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ HPGD P15428 1/20 0.55
▸ HTT P42858 3/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ RECQL P46063 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MAPT P10636 3/20 0.53
▸ POLB P06746 2/20 0.53
▸ GAA P10253 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HKDC1 Q2TB90 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL1710000 0.85 ALDH1A1 (0.61) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL13539382 0.83 ALDH1A1 (0.58) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL3179779 0.83 KMT2A (0.53) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL8827913 0.83 ALDH1A1 (0.70) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL9803958 0.83 ALDH1A1 (0.58) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL17997163 0.82 ALDH1A1 (0.60) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL11749330 0.82 ALDH1A1 (0.77) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL11033913 0.81 ALDH1A1 (0.59) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL14288405 0.81 ALDH1A1 (0.56) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL6930563 0.80 ALDH1A1 (0.67) ALDH1A1LMNATSHRSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020223136-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2020-11-05 — — WO disclosed
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-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-8383855-B2 Histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-02-26 — — 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-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 — — 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-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-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
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 (9 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-20140213620-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 ALDH1A1 764/4885LMNA 790/4885TSHR 1402/4885
US-20160143874-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 ALDH1A1 955/4885LMNA 409/4885TSHR 1245/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 ALDH1A1 320/4885LMNA 2250/4885TSHR 4237/4885
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 ALDH1A1 764/4885LMNA 790/4885TSHR 1402/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 ALDH1A1 682/4885LMNA 3722/4885TSHR 3763/4885
US-20150038581-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 ALDH1A1 764/4885LMNA 790/4885TSHR 1402/4885
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 ALDH1A1 764/4885LMNA 790/4885TSHR 1402/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 ALDH1A1 750/4885LMNA 3951/4885TSHR 3447/4885
US-10172821-B2 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC7 ALDH1A1 764/4885LMNA 790/4885TSHR 1402/4885

“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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