SCHEMBL4171295

SCHEMBL4171295

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2C9 P11712 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL4171206 0.90 MEN1 (0.35) MEN1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL4172815 0.87 KDM4E (0.38) MEN1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL4161947 0.87 PKM (0.36) MEN1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL4164764 0.82 MEN1 (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL4171348 0.82 L3MBTL1 (0.32) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4161956 0.81 MPO (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL3753694 0.73 MEN1 (0.40) MEN1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL4169700 0.71 MEN1 (0.36) MEN1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL2890776 0.70 MEN1 (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL4181242 0.70 MEN1 (0.34) MEN1KMT2ACYP1A2CYP2C19CYP2C9

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 135/4885CYP1A2 24/4885

“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.