SCHEMBL3210236

SCHEMBL3210236

CC(=O)OCCN(S)C(=O)NC1CCCc2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 5/20 0.40
CTSS P25774 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
POLB P06746 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.36
ACHE P22303 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
SCHEMBL3223401 0.89 TAS1R3 (0.41) LMNAKMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL3223009 0.81 MTNR1A (0.47) ACHE
SCHEMBL3210225 0.79 ALDH1A1 (0.43) LMNAKMT2AALDH1A1CTSSTAOK1
SCHEMBL3221372 0.74 ALDH1A1 (0.53) LMNAKMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL19521080 0.73 KMT2A (0.54) LMNAKMT2AALDH1A1CTSSTAOK1
SCHEMBL3209469 0.72 PDE10A (0.41) POLBTAS1R3TAS1R1TAS1R2ACHE
SCHEMBL3210493 0.70 ALDH1A1 (0.62) LMNAKMT2AALDH1A1POLBTAS1R3
SCHEMBL19540842 0.70 LMNA (0.49) LMNAKMT2AALDH1A1TAOK1HTT
SCHEMBL11746761 0.69 ALDH1A1 (0.64) LMNAKMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL3223390 0.69 ALDH1A1 (0.43) LMNAKMT2AALDH1A1TAS1R3TAS1R1

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 10 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
EP-2043444-A1 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2009-04-08 EP claimed
WO-2008009881-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED. (GB) 2008-01-24 WO claimed
US-7674827-B2 Indanyl- and tetrahydronaphtyl-amino-thiourea compounds for combating animal pests BASF SE (DE) 2010-03-09 US disclosed
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
US-20090075819-A1 Indanyl- and Tetrahydronaphtyl-amino-thiourea Compounds for Combating Animal Pests BASF SE (DE) 2009-03-19 US disclosed
EP-1957447-A1 INDANYL-AND TETRAHYDRONAPHTYL-AMINO-THIOUREA COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2008-08-20 EP disclosed
WO-2008009881-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED. (GB) 2008-01-24 WO disclosed
WO-2007060120-A1 INDANYL-AND TETRAHYDRONAPHTYL-AMINO-THIOUREA COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2007-05-31 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 (2 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 LMNA 1673/4885KMT2A 2630/4885ALDH1A1 128/4885
US-20090075819-A1 Indanyl- and Tetrahydronaphtyl-amino-thiourea Compounds for Combating Animal Pests AHCYL1, AHCY, TST LMNA 4241/4885KMT2A 3521/4885ALDH1A1 2138/4885

“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.