SCHEMBL14715161

SCHEMBL14715161

N#CCCN(Cc1cncc(Br)c1)C(O)=S.NC(O)=S

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 10/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RECQL P46063 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL14715160 0.85 SMN1; SMN2 (0.39) GAASMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL14973719 0.83 GAA (0.43) GAASMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL14715232 0.82 ALDH1A1 (0.45) GAASMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL14974220 0.79 ALDH1A1 (0.57) GAASMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL14973632 0.78 L3MBTL1 (0.51) GAASMN1; SMN2ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL14974214 0.78 ALDH1A1 (0.56) GAASMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL14974309 0.74 GAA (0.44) GAASMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL14973980 0.73 ALDH1A1 (0.36) GAASMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL14715390 0.70 GAA (0.34) GAASMN1; SMN2ALDH1A1LMNA
SCHEMBL14714772 0.70 ALDH1A1 (0.48) GAASMN1; SMN2ALDH1A1LMNAKDM4E

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 GAA 1564/4885SMN1; SMN2 4595/4885ALDH1A1 2942/4885

“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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