SCHEMBL2581697

SCHEMBL2581697

CCCCCOc1ccc(N[C]=S)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
NR5A1 Q13285 1/20 0.51
LTA4H P09960 2/20 0.50
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FAAH O00519 10/20 0.47
PTGES O14684 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL2089557 0.83 NPC1 (0.59) NPC1RAB9ANR5A1LTA4HGAA
SCHEMBL10465844 0.82 MAPT (0.56) NPC1GAAL3MBTL1TSHR
SCHEMBL5948125 0.81 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL10563388 0.81 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL8006745 0.81 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL2200281 0.81 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL7525722 0.81 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL2089955 0.81 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL8957600 0.81 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL8324472 0.80 NPC1 (0.64) NPC1RAB9ANR5A1LTA4HGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231334-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS SYNGENTA CROP PROTECTION LLC (US) 2013-09-05 US disclosed
EP-2563118-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS Syngenta Participations AG (CH) 2013-03-06 EP disclosed
WO-2011134819-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS SYNGENTA PARTICIPATIONS AG (CH) 2011-11-03 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-20130231334-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS DDT, AGO2, INF2 NPC1 2554/4885RAB9A 994/4885NR5A1 1979/4885

“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.