SCHEMBL2400201

SCHEMBL2400201

CC1(COc2cc(C#N)ccc2Oc2ccc(OC(F)(F)F)cc2Cl)OCCO1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 1/20 0.39
HTR2A P28223 2/20 0.39
AR P10275 2/20 0.38
PPARA Q07869 7/20 0.37
PPARD Q03181 4/20 0.37
ESRRA P11474 1/20 0.36
PPARG P37231 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
HRH1 P35367 1/20 0.34
FNTB P49356 1/20 0.34
FFAR1 O14842 1/20 0.34
IDH1 O75874 1/20 0.34
MRGPRX4 Q96LA9 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
SCHEMBL2402612 0.80 PPARD (0.43) KCNH2SLC6A4SLC6A3HTR2AAR
SCHEMBL12096582 0.79 AR (0.54) KCNH2SLC6A4SLC6A3HTR2AAR
SCHEMBL2399580 0.77 SIGMAR1 (0.41) KCNH2SLC6A4SLC6A3HTR2AAR
SCHEMBL3171174 0.76 KIF11 (0.37) ARESRRAMRGPRX4
SCHEMBL3432663 0.74 MRGPRX4 (0.45) ARESRRAMRGPRX4
SCHEMBL12096571 0.73 AR (0.45) KCNH2SLC6A4SLC6A3HTR2AAR
SCHEMBL2401961 0.73 MGLL (0.35) KCNH2SLC6A4SLC6A3HTR2A
SCHEMBL12096613 0.70 PTGDR (0.42) SLC6A4PPARAPPARDSIGMAR1HRH1
SCHEMBL12096575 0.70 PTGDR (0.42) SLC6A4PPARAPPARDSIGMAR1HRH1
SCHEMBL12096570 0.70 PTGDR (0.42) SLC6A4PPARAPPARDSIGMAR1HRH1

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 KCNH2 3421/4885SLC6A4 4527/4885SLC6A3 3038/4885

“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.