SCHEMBL3917115

SCHEMBL3917115

O=C1c2cccc(NCCO)c2C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.65
▸ FGB P02675 1/20 0.65
▸ MMP14 P50281 1/20 0.65
▸ MEN1 O00255 6/20 0.60
▸ KMT2A Q03164 6/20 0.60
▸ MAPK1 P28482 6/20 0.60
▸ LMNA P02545 5/20 0.60
▸ TDP1 Q9NUW8 5/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ RECQL P46063 4/20 0.60
▸ BLM P54132 3/20 0.60
▸ USP2 O75604 3/20 0.60
▸ EGFR P00533 3/20 0.60
▸ TP53 P04637 3/20 0.60
▸ HTT P42858 3/20 0.60
▸ ALOX15 P16050 3/20 0.60
▸ CSNK2A2 P19784 3/20 0.60
▸ CSNK2B P67870 3/20 0.60
▸ CSNK2A1 P68400 3/20 0.60
▸ CSNK2A3 Q8NEV1 3/20 0.60

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
Dimethylamine SCHEMBL28602840 0.96 NSD2 (0.60) NSD2FGBMMP14MEN1KMT2A
SCHEMBL4212641 0.92 NSD2 (0.67) NSD2FGBMMP14MEN1KMT2A
SCHEMBL13822029 0.92 MEN1 (0.74) NSD2FGBMMP14MEN1KMT2A
SCHEMBL9357997 0.91 NSD2 (0.77) NSD2FGBMMP14MEN1KMT2A
Hydrochloric Acid SCHEMBL11044463 0.90 MEN1 (0.75) NSD2FGBMMP14MEN1KMT2A
Hydrochloric Acid SCHEMBL4191340 0.90 MEN1 (0.75) NSD2FGBMMP14MEN1KMT2A
SCHEMBL20333890 0.89 NSD2 (0.69) NSD2FGBMMP14MEN1KMT2A
SCHEMBL20885913 0.88 KMT2A (0.60) NSD2FGBMMP14MEN1KMT2A
SCHEMBL8428873 0.86 TOP2B (0.70) NSD2FGBMMP14MEN1KMT2A
SCHEMBL4732627 0.86 MEN1 (0.72) NSD2FGBMMP14MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705094-B1 DISULFIDE DYES BASF SE (DE) 2021-12-15 — — EP disclosed
US-8992633-B2 Disulfide dyes BASF SE (DE) 2015-03-31 — — US disclosed
US-20140157529-A1 DISULFIDE DYES BASF SE (DE) 2014-06-12 — — US disclosed
EP-2705094-A1 DISULFIDE DYES BASF SE (DE) 2014-03-12 — — EP disclosed
WO-2012150549-A1 DISULFIDE DYES BASF SE (DE) 2012-11-08 — — WO disclosed
EP-2075036-A1 Disulfid dyes, composition comprising them and method of dyeing hair Ciba Holding Inc. (CH) 2009-07-01 — — EP disclosed
US-7476260-B2 Disulfide dyes, composition comprising them and method of dyeing hair CIBA SPECIALTY CHEMICALS CORP. (US) 2009-01-13 — — US disclosed
US-20080295260-A1 Disulfide Dyes, Composition Comprising them and Method of Dyeing Hair CIBA SPECIALTY CHEMICALS CORP. 2008-12-04 — — US disclosed
EP-1750663-A2 DISULFIDE DYES, COMPOSITION COMPRISING THEM AND METHOD OF DYEING HAIR CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-02-14 — — EP disclosed
WO-2005097051-A2 DISULFIDE DYES, COMPOSITION COMPRISING THEM AND METHOD OF DYEING HAIR CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-20 — — WO disclosed
WO-2003099242-A1 COSMETIC AGENTS CONTAINING PROTEIN DISULFIDE ISOMERASE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-12-04 — — WO disclosed
US-3964862-A Process for dyeing and printing textile materials of synthetic organic fibers CIBA-GEIGY AG (CH) 1976-06-22 — — 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 (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-20080295260-A1 Disulfide Dyes, Composition Comprising them and Method of Dyeing Hair STS, CYP2S1, SQOR NSD2 2948/4885FGB 1882/4885MMP14 2272/4885
US-20140157529-A1 DISULFIDE DYES KRT18, COL1A1, SULT1A1 NSD2 949/4885FGB 571/4885MMP14 4195/4885

“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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