SCHEMBL10040903

SCHEMBL10040903

S=c1ncn2ccsc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.35
RAB9A P51151 7/20 0.35
SMN1; SMN2 Q16637 7/20 0.35
NFKB1 P19838 3/20 0.35
NFKB2 Q00653 3/20 0.35
RELA Q04206 3/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 6/20 0.34
LMNA P02545 2/20 0.34
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 5/20 0.33
TSHR P16473 4/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX12 P18054 2/20 0.32
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.30

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
SCHEMBL2386792 0.63
SCHEMBL10279136 0.63
SCHEMBL5041270 0.63
SCHEMBL6221636 0.61 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8814374 0.59 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6771897 0.59 PTGS1 (0.31)
SCHEMBL1340803 0.59 NPC1 (0.41) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8813781 0.59 NPC1 (0.55) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL13248500 0.59 NPC1 (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12535906 0.59 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022053-A1 Oxadiazine Derivatives SYNGENTA CROP PROTECTION, INC. (US) 2012-01-26 US disclosed
US-20120022053-A1 Oxadiazine Derivatives SYNGENTA CROP PROTECTION, INC. (US) 2012-01-26 US disclosed
US-7655650-B2 Oxadiazine derivatives Syngenta Corporation (US) 2010-02-02 US disclosed
US-7655650-B2 Oxadiazine derivatives Syngenta Corporation (US) 2010-02-02 US disclosed
US-20070219188-A1 Oxadiazine Derivatives SYNGENTA CROP PROTECTION, INC. (US) 2007-09-20 US disclosed
US-20070219188-A1 Oxadiazine Derivatives SYNGENTA CROP PROTECTION, INC. (US) 2007-09-20 US 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-20070219188-A1 Oxadiazine Derivatives CBR3, AOC3, AOC2 NPC1 1434/4885RAB9A 4604/4885SMN1; SMN2 4391/4885
US-20120022053-A1 Oxadiazine Derivatives CBR3, AOC3, AOC2 NPC1 1434/4885RAB9A 4604/4885SMN1; SMN2 4391/4885

“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.