SCHEMBL2403497

SCHEMBL2403497

C[C@@](C#N)(COc1cc(C#N)ccc1Oc1ccc(Cl)cc1Cl)NC(=O)c1c(SF)c(SF)c(SF)c(SF)c1SF

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 3/20 0.43
KCNH2 Q12809 2/20 0.43
TBXA2R P21731 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
SLC6A2 P23975 2/20 0.36
MRGPRX4 Q96LA9 3/20 0.35
AR P10275 2/20 0.34
ANO1 Q5XXA6 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL2405308 1.00 SLC6A4 (0.43) SLC6A4SLC6A3KCNH2TBXA2RTRPV4
SCHEMBL2400494 1.00 SLC6A4 (0.43) SLC6A4SLC6A3KCNH2TBXA2RTRPV4
SCHEMBL15163371 0.94 SLC6A4 (0.38) SLC6A4SLC6A3KCNH2SLC6A2AR
SCHEMBL2400074 0.94 SLC6A4 (0.38) SLC6A4SLC6A3KCNH2SLC6A2AR
SCHEMBL2399478 0.94 SLC6A4 (0.38) SLC6A4SLC6A3KCNH2SLC6A2AR
SCHEMBL2404807 0.92 EGLN2 (0.39) SLC6A4SLC6A3KCNH2TBXA2RSLC6A2
SCHEMBL2405330 0.92 EGLN2 (0.39) SLC6A4SLC6A3KCNH2TBXA2RSLC6A2
SCHEMBL2402364 0.92 EGLN2 (0.39) SLC6A4SLC6A3KCNH2TBXA2RSLC6A2
SCHEMBL2402520 0.90 PPARD (0.36) SLC6A4SLC6A3KCNH2TBXA2RMRGPRX4
SCHEMBL15163377 0.90 PPARD (0.36) SLC6A4SLC6A3KCNH2TBXA2RMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168681-B2 Amidoacetonitrile compounds and pesticidal composition thereof NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20110230563-A1 AMIDOACETONITRILE COMPOUNDS AND PESTICIDAL COMPOSITION THEREOF NOVARTIS AG 2011-09-22 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 (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-20110230563-A1 AMIDOACETONITRILE COMPOUNDS AND PESTICIDAL COMPOSITION THEREOF NAAA, PTMS, NIT2 SLC6A4 4527/4885SLC6A3 3038/4885KCNH2 3421/4885

“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.