SCHEMBL6829929

SCHEMBL6829929

N#CC(C(=O)c1ccc(Cl)cc1)C(N)=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 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
SCHEMBL6829315 0.83 ALDH1A1 (0.41) ALDH1A1NPC1CES2CES1LMNA
SCHEMBL6831516 0.74 CA1 (0.50) L3MBTL1ALDH1A1NPC1CES2CES1
SCHEMBL9819129 0.74 KMT2A (0.54) ALDH1A1NPC1TSHRLMNAMAPT
SCHEMBL9860932 0.73 CES2 (0.46) L3MBTL1ALDH1A1NPC1CES2CES1
SCHEMBL9819077 0.72 MEN1 (0.48) ALDH1A1NPC1TSHRLMNAMAPT
SCHEMBL9819113 0.72 ALDH1A1 (0.42) L3MBTL1ALDH1A1NPC1CES2CES1
SCHEMBL25342452 0.72 CES2 (0.45) L3MBTL1ALDH1A1NPC1CES2CES1
SCHEMBL1143569 0.72 CES2 (0.45) L3MBTL1ALDH1A1NPC1CES2CES1
SCHEMBL9819005 0.70 TP53 (0.50) TSHRLMNAMAPTCA1CA2
SCHEMBL9819133 0.70 TP53 (0.50) TSHRLMNAMAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040059122-A1 Cyanothioacetamide derivative and process for producing the same NIPPON SODA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1367049-A1 CYANOTHIOACETAMIDE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 2003-12-03 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-20040059122-A1 Cyanothioacetamide derivative and process for producing the same NAT1, ACAA2, ACAT2 L3MBTL1 2166/4885ALDH1A1 96/4885NPC1 1787/4885

“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.