SCHEMBL4169708

SCHEMBL4169708

Cn1nc(C(F)(F)F)c(CCO)c1OCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL4173041 0.88 SMN1; SMN2 (0.36) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL31059427 0.83 MEN1 (0.36) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4164008 0.81 KMT2A (0.33) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL3753144 0.81 KMT2A (0.33) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL3753694 0.76 MEN1 (0.40) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5369514 0.76 LMNA (0.36) KMT2AMEN1LMNASMN1; SMN2L3MBTL1
SCHEMBL20592915 0.76 MAPT (0.35) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL537595 0.75 SMN1; SMN2 (0.38) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL3158933 0.75 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL4554933 0.74 LMNA (0.35) KMT2AMEN1LMNASMN1; SMN2L3MBTL1

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
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 KMT2A 135/4885MEN1 1520/4885CYP1A2 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.