SCHEMBL4166340

SCHEMBL4166340

Cn1nc(C(F)(F)F)c(C(F)(F)S(=O)(=O)c2ncc(Br)s2)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 2/20 0.32
CYP2C19 P33261 6/20 0.32
CYP1A2 P05177 5/20 0.32
CYP2D6 P10635 3/20 0.32
CYP3A4 P08684 4/20 0.31
CYP2C9 P11712 4/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4164880 0.90 MEN1 (0.32) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4171920 0.78 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4167434 0.77 MEN1 (0.31) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL13926128 0.77 MEN1 (0.31) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4167245 0.67 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL2892161 0.66 CYP2C9 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2885500 0.65 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2892736 0.65 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2885498 0.65 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL12859202 0.64 KMT2A (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA

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 5 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
EP-1885720-A2 4-(THIAZOL-2-YLTHIOALKYL)-PYRAZOLES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2008-02-13 EP disclosed
WO-2006123088-A2 4- (THIAZOL-2-YLTHIOALKYL) -PYRAZOLES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-11-23 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 (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.