SCHEMBL466343

SCHEMBL466343

[C-]#[N+]CCCC.[C-]#[N+]CCCC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC22A1 O15245 2/20 0.30
SLC22A2 O15244 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Carbon Monoxide SCHEMBL3010268 0.88 TSHR (0.32) TSHRLMNATHRB
SCHEMBL7899273 0.87 TSHR (0.50) TSHRLMNATHRBALDH1A1SLC22A1
SCHEMBL1459603 0.87 TSHR (0.50) TSHRLMNATHRBALDH1A1SLC22A1
SCHEMBL6241582 0.87 TSHR (0.50) TSHRLMNATHRBALDH1A1SLC22A1
SCHEMBL31171921 0.87 TSHR (0.50) TSHRLMNATHRBALDH1A1SLC22A1
SCHEMBL4489669 0.87 TSHR (0.50) TSHRLMNATHRBALDH1A1SLC22A1
SCHEMBL31171990 0.87 TSHR (0.50) TSHRLMNATHRBALDH1A1SLC22A1
SCHEMBL6033481 0.87 TSHR (0.50) TSHRLMNATHRBALDH1A1SLC22A1
SCHEMBL6884514 0.78 CA12 (0.33)
Hydrochloric Acid SCHEMBL11611172 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344158-B1 USE OF ISOQC INHIBITORS PROBIODRUG AG (DE) 2017-12-27 EP disclosed
EP-2344157-B1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2016-05-25 EP disclosed
US-8962860-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-02-24 US disclosed
US-8889709-B2 Use of isoQC inhibitors in the treatment and prevention of inflammatory diseases or conditions PROBIODRUG AG (DE) 2014-11-18 US disclosed
EP-2344157-A1 NOVEL INHIBITORS Probiodrug AG (DE) 2011-07-20 EP disclosed
EP-2344158-A1 Use of isoQC inhibitors Probiodrug AG (DE) 2011-07-20 EP disclosed
US-20100125086-A1 USE OF ISOQC INHIBITORS PROBIODRUG AG (DE) 2010-05-20 US disclosed
US-20100119475-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2010-05-13 US disclosed
WO-2010026209-A1 Use of isoQC inhibitors PROBIODRUG AG (DE) 2010-03-11 WO disclosed
WO-2010026212-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2010-03-11 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-20100119475-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, GLUL TSHR 1599/4885LMNA 3707/4885THRB 1219/4885
US-20100125086-A1 USE OF ISOQC INHIBITORS QPCT, QPCTL, GGCT TSHR 4798/4885LMNA 3611/4885THRB 3275/4885

“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.