SCHEMBL3213249

SCHEMBL3213249

OCCNC(=S)NC1CCCc2ccc(Br)cc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.43
CTSS P25774 1/20 0.42
RECQL P46063 1/20 0.41
TAOK1 Q7L7X3 1/20 0.40
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
PTPN7 P35236 1/20 0.38
TAOK3 Q9H2K8 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL3210225 0.84 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1LMNACTSS
SCHEMBL3210483 0.82 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1RECQLHTT
SCHEMBL19521080 0.76 KMT2A (0.54) ALDH1A1KMT2AMEN1LMNACTSS
SCHEMBL4700260 0.75 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1RECQLHTT
SCHEMBL3219943 0.75 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1RECQLHTT
SCHEMBL13315863 0.72 LMNA (0.43) ALDH1A1KMT2ALMNACTSSHTT
SCHEMBL19521127 0.72 PDPK1 (0.46) KMT2ALMNACTSSPOLBTAS1R3
SCHEMBL3952887 0.72 MEN1 (0.47) ALDH1A1KMT2AMEN1LMNARECQL
SCHEMBL7151732 0.70 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL3223390 0.70 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1LMNARECQL

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-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US claimed
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
EP-2043444-A1 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2009-04-08 EP disclosed
WO-2008009881-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED. (GB) 2008-01-24 WO 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-20100048699-A1 CHEMICAL COMPOUNDS ACHE, TYR, SGMS1 ALDH1A1 128/4885KMT2A 2630/4885MEN1 316/4885

“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.