SCHEMBL4171206

SCHEMBL4171206

Cn1nc(C(F)(F)F)c(CSc2ncc(C(N)=O)s2)c1OCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 2/20 0.32
SCD O00767 4/20 0.32
CYP3A4 P08684 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
SCHEMBL4171295 0.90 MEN1 (0.35) MEN1KMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL4172815 0.87 KDM4E (0.38) MEN1KMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL4161947 0.87 PKM (0.36) MEN1KMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL4171348 0.82 L3MBTL1 (0.32) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4164764 0.82 MEN1 (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL4161956 0.81 MPO (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL3753694 0.73 MEN1 (0.40) MEN1KMT2ASMN1; SMN2L3MBTL1NPC1
Bromide SCHEMBL5382542 0.72 IDO1 (0.35) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4169700 0.71 MEN1 (0.36) MEN1KMT2ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL2890776 0.70 MEN1 (0.31) MEN1KMT2ASMN1; SMN2

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
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 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-20090048112-A1 Novel Herbicides HAX1, MTX1, CYP4X1 MEN1 1520/4885KMT2A 135/4885SMN1; SMN2 1673/4885

“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.