SCHEMBL14715013

SCHEMBL14715013

N#CCCOC(=S)Nc1cccnc1.NC(O)=S

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
HPGD P15428 2/20 0.43
BCL6 P41182 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
NOTUM Q6P988 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39

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
SCHEMBL18550507 0.81 HPGD (0.63) LMNAHPGDALDH1A1SMN1; SMN2NPC1
Methane SCHEMBL14715029 0.80 ALDH1A1 (0.50) LMNAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL8977667 0.77 ALDH1A1 (0.55) LMNAHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL9383012 0.73 PKM (0.56) LMNAHPGDBCL6ALDH1A1KDM4E
Methane SCHEMBL11836732 0.72 PKM (0.54) LMNAHPGDBCL6ALDH1A1KDM4E
SCHEMBL14715011 0.71 LMNA (0.47) LMNABCL6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11343314 0.70 SMN1; SMN2 (0.46) LMNABCL6ALDH1A1KDM4ESMN1; SMN2
Methane SCHEMBL21641777 0.70 HPGD (0.51) HPGDALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL29972743 0.70 ALDH1A1 (0.57) LMNAHPGDALDH1A1KDM4ENPC1
SCHEMBL525722 0.70 ALDH1A1 (0.57) LMNAHPGDALDH1A1KDM4ENPC1

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 LMNA 3892/4885HPGD 2006/4885BCL6 696/4885

“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.