SCHEMBL4172815

SCHEMBL4172815

CCOC(=O)c1cnc(SCc2c(C(F)(F)F)nn(C)c2OCC(F)(F)F)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
NPC1 O15118 2/20 0.34
PKM P14618 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 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 0.87 MEN1 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4171206 0.87 MEN1 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4161947 0.84 PKM (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4164764 0.80 MEN1 (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL4171348 0.80 L3MBTL1 (0.32) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL4161956 0.78 MPO (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL3753694 0.71 MEN1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4181242 0.70 MEN1 (0.34) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL2890776 0.70 MEN1 (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL4174761 0.70 ALDH1A1 (0.35) KDM4EMEN1KMT2AALDH1A1HPGD

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 KDM4E 471/4885CDC7 4357/4885DBF4 2928/4885

“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.