SCHEMBL3380301

SCHEMBL3380301

O=C(CBr)NCCSSCCNC(=O)CBr

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.36
HDAC6 Q9UBN7 9/20 0.36
HDAC3 O15379 7/20 0.36
HDAC4 P56524 7/20 0.36
HDAC7 Q8WUI4 7/20 0.36
HDAC2 Q92769 7/20 0.36
HDAC10 Q969S8 7/20 0.36
HDAC11 Q96DB2 7/20 0.36
HDAC8 Q9BY41 7/20 0.36
HDAC9 Q9UKV0 7/20 0.36
HDAC5 Q9UQL6 7/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 2/20 0.34
AANAT Q16613 1/20 0.34
TEAD1 P28347 1/20 0.32
YAP1 P46937 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 1/20 0.32

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
SCHEMBL28383270 0.89 TSHR (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL10866810 0.81 HDAC3 (0.41) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL10067925 0.80 TDP1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL559906 0.77 ALDH1A1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16853223 0.76 ALDH1A1 (0.48) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16853220 0.76 ALDH1A1 (0.55) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7135125 0.76
SCHEMBL31026918 0.75 TSHR (0.36) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL17546684 0.75 MEN1 (0.61) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL6319788 0.75 CA2 (0.38) HDAC1HDAC6HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606095-B1 DISULFIDE OR THIOL POLYMERIC HAIR DYES BASF SE (DE) 2016-10-12 EP disclosed
US-8641783-B2 Disulfide or thiol polymeric hair dyes BASF SE (DE) 2014-02-04 US disclosed
US-8641783-B2 Disulfide or thiol polymeric hair dyes BASF SE (DE) 2014-02-04 US disclosed
US-20130139328-A1 DISULFIDE OR THIOL POLYMERIC HAIR DYES BASF SE (DE) 2013-06-06 US disclosed
US-20130139328-A1 DISULFIDE OR THIOL POLYMERIC HAIR DYES BASF SE (DE) 2013-06-06 US disclosed
EP-1937780-B1 MIXTURE OF SULFIDE DYES BASF SE (DE) 2013-02-13 EP disclosed
EP-1937780-B1 MIXTURE OF SULFIDE DYES BASF SE (DE) 2013-02-13 EP disclosed
WO-2012022709-A1 DISULFIDE OR THIOL POLYMERIC HAIR DYES BASF SE (DE) 2012-02-23 WO disclosed
EP-1893694-B1 SULFIDE DYES BASF SE (DE) 2010-11-17 EP disclosed
US-7828858-B2 Mixture of sulfide dyes CIBA CORPORATION (US) 2010-11-09 US disclosed
US-7828858-B2 Mixture of sulfide dyes CIBA CORPORATION (US) 2010-11-09 US disclosed
US-7550016-B2 Sulfide dyes CIBA SPECIALTY CHEMICALS CORP. (US) 2009-06-23 US disclosed
US-20090100610-A1 Mixture of Sulfide Dyes CIBA CORPORATION 2009-04-23 US disclosed
US-20090100610-A1 Mixture of Sulfide Dyes CIBA CORPORATION 2009-04-23 US disclosed
US-20090100610-A1 Mixture of Sulfide Dyes CIBA CORPORATION 2009-04-23 US disclosed
US-20090049620-A1 Sulfide dyes CIBA SPECIALTY CHEMICAL CORP. 2009-02-26 US disclosed
EP-1937780-A2 MIXTURE OF SULFIDE DYES Ciba Holding Inc. (CH) 2008-07-02 EP disclosed
EP-1893694-A2 SULFIDE DYES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2008-03-05 EP disclosed
WO-2006136516-A2 SULFIDE DYES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-12-28 WO disclosed
WO-2006136617-A2 MIXTURE OF SULFIDE DYES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-12-28 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-20090100610-A1 Mixture of Sulfide Dyes KRT18, TST, ARSA HDAC1 876/4885HDAC6 1063/4885HDAC3 1212/4885
US-20090049620-A1 Sulfide dyes KRT18, C9, CBR3 HDAC1 810/4885HDAC6 719/4885HDAC3 454/4885

“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.