SCHEMBL2584786

SCHEMBL2584786

Cc1cccc(N(C)[C]=S)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.44
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
NSD2 O96028 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
MAPK1 P28482 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2095098 0.79 ACHE (0.44) ACHETDP1MEN1NPC1NSD2
SCHEMBL7417703 0.79 ACHE (0.44) ACHETDP1MEN1NPC1NSD2
SCHEMBL3252000 0.75 MEN1 (0.42) TDP1MEN1KMT2AMAPK1LMNA
SCHEMBL1697445 0.75 ACHE (0.55) ACHETDP1MEN1NPC1NSD2
SCHEMBL12879 0.75 ALDH1A1 (0.56) ACHETDP1MEN1NPC1NSD2
SCHEMBL29381010 0.75 ALDH1A1 (0.56) ACHETDP1MEN1NPC1NSD2
Hydrochloric Acid SCHEMBL2869751 0.73 ALDH1A1 (0.54) ACHETDP1MEN1NPC1NSD2
SCHEMBL25917003 0.73 ACHE (0.52) ACHETDP1MEN1NPC1NSD2
SCHEMBL21065746 0.73 ALDH1A1 (0.54) ACHETDP1MEN1NPC1NSD2
SCHEMBL11823858 0.73 ALDH1A1 (0.52) ACHETDP1RAB9AMAPK1LMNA

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 ACHE 791/4885TDP1 2577/4885MEN1 2080/4885

“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.