SCHEMBL3301222

SCHEMBL3301222

CCN(C)C=Nc1cc(C(F)F)c(Oc2ccccc2)cc1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
CYP2D6 P10635 1/20 0.31
SLC6A3 Q01959 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2A P08913 1/20 0.30
DHODH Q02127 1/20 0.30
LTA4H P09960 1/20 0.30

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
SCHEMBL3301217 1.00 SMN1; SMN2 (0.33) SMN1; SMN2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL3299676 0.87 FAAH (0.30)
SCHEMBL3299679 0.87 FAAH (0.30)
SCHEMBL16752571 0.87 KDM4E (0.37) SMN1; SMN2LMNA
SCHEMBL3305053 0.87 KDM4E (0.37) SMN1; SMN2LMNA
SCHEMBL4447750 0.86 ACHE (0.31)
SCHEMBL3305349 0.86 BCHE (0.31)
SCHEMBL3305356 0.86 BCHE (0.31)
SCHEMBL2685505 0.86 SMN1; SMN2 (0.36) SMN1; SMN2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL2685504 0.86 SMN1; SMN2 (0.36) SMN1; SMN2SLC6A2SLC6A4CYP2D6SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134170-B1 FLUORALKYLPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER IP GMBH (DE) 2015-06-03 EP claimed
US-8299301-B2 Fluoralkylphenylamidines and the use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-10-30 US claimed
US-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-15 US claimed
EP-1969931-A1 Fluoroalkyl phenylamidines and their use as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-09-17 EP claimed
EP-2134170-B1 FLUORALKYLPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER IP GMBH (DE) 2015-06-03 EP disclosed
US-8299301-B2 Fluoralkylphenylamidines and the use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
US-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-15 US disclosed
EP-1969931-A1 Fluoroalkyl phenylamidines and their use as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-09-17 EP 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-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES PFAS, DDT, PAH SMN1; SMN2 4594/4885SLC6A2 1674/4885SLC6A4 1427/4885

“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.