SCHEMBL7684522

SCHEMBL7684522

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(N=C3SCC(=O)N3Cc3ccncc3)c(Cl)cc2F)c1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.44
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.36
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
KCNN4 O15554 6/20 0.34
ALDH1A1 P00352 2/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7684518 1.00 CA9 (0.44) CA9MAPTL3MBTL1MAP3K7TAB1
SCHEMBL7979226 0.93 MAPT (0.38) CA9MAPTL3MBTL1KCNN4ALDH1A1
SCHEMBL7979224 0.93 MAPT (0.38) CA9MAPTL3MBTL1KCNN4ALDH1A1
SCHEMBL7684170 0.92 MAPT (0.42) CA9MAPTL3MBTL1KCNN4ALDH1A1
SCHEMBL7690667 0.92 MAPT (0.39) CA9MAPTL3MBTL1KCNN4ALDH1A1
SCHEMBL7684744 0.92 MAPT (0.39) CA9MAPTL3MBTL1KCNN4ALDH1A1
SCHEMBL7684749 0.92 MAPT (0.39) CA9MAPTL3MBTL1KCNN4ALDH1A1
SCHEMBL7684171 0.92 MAPT (0.42) CA9MAPTL3MBTL1KCNN4ALDH1A1
SCHEMBL7690669 0.92 MAPT (0.39) CA9MAPTL3MBTL1KCNN4ALDH1A1
SCHEMBL7691157 0.92 MAPT (0.55) CA9MAPTL3MBTL1KCNN4ALDH1A1

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 CA9 2819/4885MAPT 3732/4885L3MBTL1 418/4885

“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.