SCHEMBL10448183

SCHEMBL10448183

Cn1cnnc1SC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
CBLB Q13191 1/20 0.41
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
HSD11B1 P28845 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CRBN Q96SW2 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL18785836 0.83 LMNA (0.36) ALDH1A1HSD17B10ALOX15CBLBLMNA
SCHEMBL5962387 0.71 CBLB (0.50) ALDH1A1HSD17B10ALOX15CBLBLMNA
SCHEMBL4179251 0.66 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNAL3MBTL1KDM4E
SCHEMBL16018117 0.66 ALDH1A1 (0.46) ALDH1A1HSD17B10ALOX15CBLBLMNA
SCHEMBL14969208 0.66 ALDH1A1 (0.53) ALDH1A1HSD17B10LMNAL3MBTL1KDM4E
SCHEMBL969717 0.65 GCK (0.34) ALDH1A1HSD17B10ALOX15CBLBLMNA
SCHEMBL10401904 0.65 CBLB (0.44) ALDH1A1HSD17B10ALOX15CBLBL3MBTL1
SCHEMBL4378220 0.65 ALDH1A1 (0.49) ALDH1A1HSD17B10LMNAL3MBTL1KDM4E
SCHEMBL10403528 0.65 CBLB (0.44) ALDH1A1HSD17B10ALOX15CBLBL3MBTL1
SCHEMBL10447746 0.64 ALDH1A1 (0.54) ALDH1A1LMNARAB9AKMT2ACYP1A2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10729738-B2 Hindered disulfide drug conjugates GENENTECH, INC. (US) 2020-08-04 US 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-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 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-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 US disclosed
US-8497278-B2 Imidazo[1,2-a]pyridine compounds SUNOVION PHARMACEUTICALS INC. (US) 2013-07-30 US disclosed
US-20130018103-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-01-17 US disclosed
US-8222423-B2 Bifunctional histone deacetylase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-07-17 US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 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 ALDH1A1 786/4885HSD17B10 410/4885ALOX15 4541/4885
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD ALDH1A1 269/4885HSD17B10 2559/4885ALOX15 4110/4885
US-20140213620-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 ALDH1A1 764/4885HSD17B10 279/4885ALOX15 1002/4885
US-20160143874-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 ALDH1A1 955/4885HSD17B10 379/4885ALOX15 1563/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD ALDH1A1 269/4885HSD17B10 2559/4885ALOX15 4110/4885
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 ALDH1A1 786/4885HSD17B10 410/4885ALOX15 4541/4885
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 ALDH1A1 764/4885HSD17B10 279/4885ALOX15 1002/4885
US-20150038581-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 ALDH1A1 764/4885HSD17B10 279/4885ALOX15 1002/4885
US-10729738-B2 Hindered disulfide drug conjugates STS, TST, SCLY ALDH1A1 143/4885HSD17B10 567/4885ALOX15 2310/4885
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY ALDH1A1 143/4885HSD17B10 567/4885ALOX15 2310/4885
US-10172821-B2 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC7 ALDH1A1 764/4885HSD17B10 279/4885ALOX15 1002/4885

“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.