SCHEMBL7682108

SCHEMBL7682108

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(N=C3SCC(=O)N3CC(=O)O)c(Cl)cc2F)c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
MEN1 O00255 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
KMT2A Q03164 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
SCHEMBL7682105 1.00 GAA (0.36) GAAL3MBTL1MAPTALDH1A1PKM
SCHEMBL7681933 0.93 L3MBTL1 (0.35) L3MBTL1MAPT
SCHEMBL7681937 0.93 L3MBTL1 (0.35) L3MBTL1MAPT
SCHEMBL7680432 0.91 L3MBTL1 (0.36) L3MBTL1MAPTALDH1A1
SCHEMBL7680438 0.91 L3MBTL1 (0.36) L3MBTL1MAPTALDH1A1
SCHEMBL7686507 0.91 L3MBTL1 (0.33) L3MBTL1
SCHEMBL7686505 0.91 L3MBTL1 (0.33) L3MBTL1
SCHEMBL7691622 0.90 L3MBTL1 (0.34) L3MBTL1MAPT
SCHEMBL7691619 0.90 L3MBTL1 (0.34) L3MBTL1MAPT
SCHEMBL8116917 0.90 L3MBTL1 (0.46) GAAL3MBTL1MAPTALDH1A1KMT2A

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-20020137929-A1 1 - (3-heterocyclylphenyl) isothiourea, -isourea, -guanidine and -amidine herbicidal agents INTELLECTUAL PROPERTY DEPARTMENT, BASF AKTIENGESELLSCHAFT (DE) 2002-09-26 US disclosed
US-6303783-B1 1- (3-Heterocyclylphenyl) isothiourea, -isourea, -guanidine and -amidine herbicidal agents AMERICAN CYANAMID CO. 2001-10-16 US disclosed
EP-0985670-A1 1-(3-Heterocyclylphenyl)isothiourea, -isourea, -guanidine and -amidine compounds as herbicides American Cyanamid Company (US) 2000-03-15 EP 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-20020137929-A1 1 - (3-heterocyclylphenyl) isothiourea, -isourea, -guanidine and -amidine herbicidal agents IMPDH1, GANC, DDT GAA 373/4885L3MBTL1 418/4885MAPT 3732/4885

“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.