SCHEMBL2402872

SCHEMBL2402872

C[C@](C#N)(COc1cc(C#N)ccc1Oc1ccc(F)cc1Br)NC(=O)c1c(SF)c(SF)c(SF)c(SF)c1SF

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
SCN8A Q9UQD0 2/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
TBXA2R P21731 3/20 0.35
SSTR4 P31391 1/20 0.33
PKM P14618 1/20 0.33
NR3C1 P04150 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL2404823 1.00 AR (0.36) ARSCN8ASCN10ATBXA2RSSTR4
SCHEMBL2404848 1.00 AR (0.36) ARSCN8ASCN10ATBXA2RSSTR4
SCHEMBL2405330 0.90 EGLN2 (0.39) ARSCN8ASCN10ATBXA2RNR3C1
SCHEMBL2404807 0.90 EGLN2 (0.39) ARSCN8ASCN10ATBXA2RNR3C1
SCHEMBL2402364 0.90 EGLN2 (0.39) ARSCN8ASCN10ATBXA2RNR3C1
SCHEMBL2403497 0.84 SLC6A4 (0.43) ARTBXA2RNR3C1
SCHEMBL2400494 0.84 SLC6A4 (0.43) ARTBXA2RNR3C1
SCHEMBL2405308 0.84 SLC6A4 (0.43) ARTBXA2RNR3C1
SCHEMBL2402520 0.81 PPARD (0.36) SCN8ASCN10ATBXA2RNR3C1FFAR1
SCHEMBL15163377 0.81 PPARD (0.36) SCN8ASCN10ATBXA2RNR3C1FFAR1

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
EP-2373162-B1 AMIDOACETONITRILE COMPOUNDS AND PESTICIDAL COMPOSITION THEREOF NOVARTIS AG (CH) 2013-08-14 EP disclosed
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 AR 2871/4885SCN8A 2987/4885SCN10A 1426/4885

“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.