SCHEMBL1360622

SCHEMBL1360622

CCOC(=S)C(C)Oc1ccc2nc(Br)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.43
PPARA Q07869 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 6/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL1359268 0.87 KMT2A (0.59) CA2PPARASMN1; SMN2KMT2AMEN1
SCHEMBL1361198 0.85 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1HPGDGAA
SCHEMBL1359247 0.83 ATAD2 (0.42) CA2PPARASMN1; SMN2KMT2AMEN1
SCHEMBL1360614 0.78 ATAD2 (0.45) CA2PPARASMN1; SMN2KMT2AMEN1
SCHEMBL19783432 0.74 KMT2A (0.69) CA2PPARASMN1; SMN2KMT2AMEN1
SCHEMBL29264952 0.74 KMT2A (0.43) CA2PPARASMN1; SMN2KMT2AMEN1
SCHEMBL145671 0.71 NPC1 (0.67) CA2SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL30189826 0.71 NPC1 (0.67) CA2SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL18592606 0.71 ACACB (0.46) CA2PPARASMN1; SMN2KMT2AMEN1
SCHEMBL10966322 0.71 ACACB (0.46) CA2PPARASMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067592-B2 N-alkyny-2-(substituted aryloxy) alkylthioamine derivatives as fungicides SYNGENTA LIMITED (GB) 2011-11-29 US disclosed
EP-1638928-B1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LTD (GB) 2010-09-29 EP disclosed
US-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides SYNGENTA LIMITED (GB) 2007-02-22 US disclosed
EP-1638928-A1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES Syngenta Limited (GB) 2006-03-29 EP disclosed
WO-2004108663-A1 N-ALKYNYL-2- (SUBSTITUTED ARYLOXY) ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-12-16 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-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides NAT1, AKR7A2, KCNA2 CA2 1691/4885PPARA 2054/4885SMN1; SMN2 2161/4885

“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.