SCHEMBL4858968

SCHEMBL4858968

Cc1cc/c(=N\C(=O)C(F)(F)F)n(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2B O60939 2/20 0.43
SCN1B Q07699 2/20 0.43
SCN5A Q14524 2/20 0.43
SCN9A Q15858 2/20 0.43
SCN1A P35498 1/20 0.43
NOTUM Q6P988 1/20 0.43
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
PIN1 Q13526 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4858973 1.00 SCN2B (0.43) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL4853360 0.89 SCN2B (0.44) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL4853368 0.89 SCN2B (0.44) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL4852112 0.89 NOTUM (0.46) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL4852106 0.89 NOTUM (0.46) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL14269329 0.86 SCN2B (0.44) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL14607417 0.81 ALDH1A1 (0.41) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL14294612 0.81 CYP1A2 (0.40) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL4857564 0.78 SCN2B (0.44) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL4857558 0.78 SCN2B (0.44) SCN2BSCN1BSCN5ASCN9ASCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329757-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7329757-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7329757-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7186834-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2007-03-06 US disclosed
US-7186834-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2007-03-06 US disclosed
US-7186834-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2007-03-06 US disclosed
US-20060122062-A1 Substituted iminoazines MULLER KLAUS-HELMUT 2006-06-08 US disclosed
US-20040029881-A1 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
EP-1286968-A2 SUBSTITUTED IMINOAZINES Bayer Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001090071-A2 SUBSTITUTED IMINOAZINES USED AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2001-11-29 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 (2 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-20060122062-A1 Substituted iminoazines IDH2, DDT, CYP1A2 SCN2B 1183/4885SCN1B 743/4885SCN5A 616/4885
US-20040029881-A1 Substituted iminoazines CYP4Z1, DDT, CYP1A1 SCN2B 826/4885SCN1B 265/4885SCN5A 235/4885

“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.