SCHEMBL14715160

SCHEMBL14715160

N#CCCN(Cc1cncc(Br)c1)C(=S)S

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 10/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ RECQL P46063 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL14715161 0.85 GAA (0.39) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL14973718 0.82 GAA (0.42) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL14715230 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL14974219 0.77 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
Hydrochloric Acid SCHEMBL14974213 0.76 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL14973631 0.76 L3MBTL1 (0.53) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL14974307 0.73 GAA (0.43) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL14973979 0.71 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL14714770 0.68 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL14715389 0.68 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130136794-A1 HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF PEKING UNIVERSITY (CN) 2013-05-30 — — US claimed
EP-2562157-A1 HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Peking University (CN) 2013-02-27 — — EP claimed
US-20130136794-A1 HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF PEKING UNIVERSITY (CN) 2013-05-30 — — US disclosed
EP-2562157-A1 HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Peking University (CN) 2013-02-27 — — EP 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-20130136794-A1 HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF LTK, ERBB2, ABL1 SMN1; SMN2 4595/4885ALDH1A1 2942/4885LMNA 3892/4885

“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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