SCHEMBL1366504

SCHEMBL1366504

O=C(CS)NCCCCCCNC(=O)CS

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HDAC6 Q9UBN7 13/20 0.56
HDAC1 Q13547 10/20 0.56
HDAC8 Q9BY41 9/20 0.56
HDAC10 Q969S8 8/20 0.55
HDAC2 Q92769 7/20 0.55
HDAC3 O15379 4/20 0.55
HDAC4 P56524 4/20 0.55
HDAC7 Q8WUI4 4/20 0.55
HDAC11 Q96DB2 4/20 0.55
HDAC9 Q9UKV0 4/20 0.55
HDAC5 Q9UQL6 4/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CASP2 P42575 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
NAAA Q02083 1/20 0.45

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
SCHEMBL1679985 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL930344 0.93 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL15057947 0.91 HDAC6 (0.54) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL929131 0.90 HDAC6 (0.49) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL25885399 0.89 HDAC6 (0.49) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL8293928 0.89 HDAC6 (0.49) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL2802038 0.89 PAOX (0.57) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL7564045 0.89 CASP2 (0.67) MEN1KMT2ACASP2NAAA
SCHEMBL5144140 0.89 CASP2 (0.67) MEN1KMT2ACASP2NAAA
SCHEMBL7564056 0.89 CASP2 (0.67) MEN1KMT2ACASP2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110072564-A As silane coupling agent for adhesiveness improvement comprising mercaptan, alkene and containing the composition of phosphinic acid compounds 生物医学键合有限公司 2019-07-30 CN disclosed
EP-2258677-B1 HISTONE DEACETYLASE INHIBITORS UNIV GEORGETOWN (US) 2014-06-18 EP disclosed
US-8067600-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2011-11-29 US disclosed
US-8067600-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2011-11-29 US disclosed
US-8067600-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2011-11-29 US disclosed
EP-2258677-A2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2010-12-08 EP disclosed
US-20100102975-A1 BATTERY LEAKAGE DETECTION SYSTEM SONY DEUTSCHLAND GMBH (DE) 2010-04-29 US disclosed
US-20090163543-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2009-06-25 US disclosed
EP-1841002-B1 Battery leakage detection system SONY DEUTSCHLAND GMBH (DE) 2009-05-20 EP disclosed
US-7507828-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2009-03-24 US disclosed
US-7507828-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2009-03-24 US disclosed
US-7507828-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2009-03-24 US disclosed
US-20070229294-A1 BATTERY LEAKAGE DETECTION SYSTEM SONY DEUTSCHLAND GMBH (DE) 2007-10-04 US disclosed
CN-101048503-A Gonadotropin derived from invertebrate and preparation method thereof KEK HIGH ENERGY ACCELERATOR (JP) 2007-10-03 CN disclosed
EP-1841002-A1 Battery leakage detection system SONY DEUTSCHLAND GMBH (DE) 2007-10-03 EP disclosed
EP-1644323-A4 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2007-06-20 EP disclosed
EP-1644323-A2 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2006-04-12 EP disclosed
US-20050032831-A1 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY 2005-02-10 US disclosed
WO-2005007091-A2 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2005-01-27 WO disclosed
WO-2005007091-A2 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2005-01-27 WO 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 (2 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-20090163543-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof HDAC5, HDAC6, HDAC1 ALDH1A1 376/4885SMN1; SMN2 855/4885HDAC6 2/4885
US-20050032831-A1 Histone deacetylase inhibitors and methods of use thereof HDAC5, HDAC6, HDAC1 ALDH1A1 376/4885SMN1; SMN2 855/4885HDAC6 2/4885

“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.