SCHEMBL7688768

SCHEMBL7688768

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(N=C3SCC(=O)N3Cc3cccc(C(F)(F)F)c3)c(Cl)cc2F)c1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 10/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 4/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CA9 Q16790 1/20 0.33

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
SCHEMBL7688767 1.00 KCNN4 (0.41) KCNN4MAPTTP53LMNAL3MBTL1
SCHEMBL7684351 0.94 MAPT (0.42) KCNN4MAPTTP53LMNAL3MBTL1
SCHEMBL7684346 0.94 MAPT (0.42) KCNN4MAPTTP53LMNAL3MBTL1
SCHEMBL7684171 0.93 MAPT (0.42) KCNN4MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL7684170 0.93 MAPT (0.42) KCNN4MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL7979266 0.92 MAPT (0.41) KCNN4MAPTTP53LMNAL3MBTL1
SCHEMBL7979269 0.92 MAPT (0.41) KCNN4MAPTTP53LMNAL3MBTL1
SCHEMBL7979226 0.92 MAPT (0.38) KCNN4MAPTL3MBTL1SLC5A1SLC5A2
SCHEMBL7979224 0.92 MAPT (0.38) KCNN4MAPTL3MBTL1SLC5A1SLC5A2
SCHEMBL7682226 0.90 MAPT (0.43) KCNN4MAPTTP53L3MBTL1ALDH1A1

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 KCNN4 2830/4885MAPT 3732/4885TP53 2328/4885

“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.