SCHEMBL1137534

SCHEMBL1137534

O=[N+]([O-])c1cnccc1SSc1ccncc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HTT P42858 4/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.42
PDE7A Q13946 3/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7B Q9NP56 1/20 0.41
CHUK O15111 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL31354776 0.85 CA12 (0.46) ALDH1A1HTTRAB9AKMT2AMAPT
SCHEMBL8757145 0.85 MAPT (0.45) ALDH1A1HTTRAB9AKMT2AMAPT
SCHEMBL16702240 0.82 GSTP1 (0.49) ALDH1A1HTTRAB9AKMT2AMAPT
SCHEMBL16702882 0.80 ALDH1A1 (0.46) ALDH1A1HTTRAB9AKMT2AMAPT
SCHEMBL16712939 0.80 ALDH1A1 (0.42) ALDH1A1HTTRAB9AKMT2AMAPT
SCHEMBL16702465 0.79 PDE7A (0.55) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL8568179 0.79 ALDH1A1 (0.53) ALDH1A1HTTRAB9AKMT2AMAPT
SCHEMBL16702471 0.78 HASPIN (0.45) ALDH1A1HTTRAB9AKMT2AMAPT
SCHEMBL16702310 0.77 ALDH1A1 (0.39) ALDH1A1HTTRAB9AKMT2AMAPT
SCHEMBL16702722 0.77 ALDH1A1 (0.43) ALDH1A1HTTRAB9AKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542723-B1 CROSS-LINKERS WITH HIGH REACTIVITY AND SOLUBILITY AND THEIR USE IN THE PREPARATION OF CONJUGATES FOR TARGETED DELIVERY OF SMALL MOLECULE DRUGS IMMUNOGEN INC (US) 2011-02-23 EP disclosed
EP-1542723-A4 CROSS-LINKERS WITH HIGH REACTIVITY AND SOLUBILITY AND THEIR USE IN THE PREPARATION OF CONJUGATES FOR TARGETED DELIVERY OF SMALL MOLECULE DRUGS IMMUNOGEN INC (US) 2009-02-11 EP disclosed
US-6913748-B2 Cross-linkers with high reactivity and solubility and their use in the preparation of conjugates for targeted delivery of small molecule drugs IMMUNOGEN, INC. (US) 2005-07-05 US disclosed
EP-1542723-A2 CROSS-LINKERS WITH HIGH REACTIVITY AND SOLUBILITY AND THEIR USE IN THE PREPARATION OF CONJUGATES FOR TARGETED DELIVERY OF SMALL MOLECULE DRUGS Immunogen, Inc. (US) 2005-06-22 EP disclosed
US-20040039176-A1 Cross-linkers with high reactivity and solubility and their use in the preparation of conjugates for targeted delivery of small molecule drugs IMMUNOGEN, INC. 2004-02-26 US disclosed
WO-2004016801-A2 CROSS-LINKERS WITH HIGH REACTIVITY AND SOLUBILITY AND THEIR USE IN THE PREPARATION OF CONJUGATES FOR TARGETED DELIVERY OF SMALL MOLECULE DRUGS IMMUNOGEN, INC. (US) 2004-02-26 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 (1 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-20040039176-A1 Cross-linkers with high reactivity and solubility and their use in the preparation of conjugates for targeted delivery of small molecule drugs CD44, ABCG2, EPCAM ALDH1A1 1402/4885HTT 3885/4885RAB9A 1673/4885

“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.