SCHEMBL14715064

SCHEMBL14715064

N#CCCN(Cc1nnc(-c2ccccc2)o1)C(O)=S.NC(O)=S

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.46
▸ ALDH1A1 P00352 7/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ HDAC8 Q9BY41 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ATM Q13315 1/20 0.36

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
SCHEMBL14715063 0.87 NOTUM (0.47) NOTUMALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL14715070 0.81 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1HPGDGAA
SCHEMBL14714616 0.75 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2HPGDGAA
SCHEMBL14973881 0.71 ALDH1A1 (0.48) ALDH1A1LMNATSHRGAAKDM4E
SCHEMBL14973632 0.70 L3MBTL1 (0.51) ALDH1A1LMNASMN1; SMN2GAAPOLB
SCHEMBL14974220 0.69 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2HPGDGAA
SCHEMBL14714710 0.69 GAA (0.41) ALDH1A1LMNASMN1; SMN2NPC1HPGD
Hydrochloric Acid SCHEMBL14974214 0.68 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2HPGDGAA
SCHEMBL1473751 0.68 NOTUM (0.62) NOTUMALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL14973719 0.68 GAA (0.43) ALDH1A1LMNASMN1; SMN2GAAPOLB

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 NOTUM 1854/4885ALDH1A1 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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