SCHEMBL7682489

SCHEMBL7682489

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(NC(=S)NCCC(=O)O)c(Cl)cc2F)c1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 3/20 0.31
SIRT5 Q9NXA8 1/20 0.31
KMT2A Q03164 4/20 0.30
MEN1 O00255 3/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
GAA P10253 1/20 0.30
KCNH2 Q12809 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL7680082 0.91 CYP1A2 (0.33) SMN1; SMN2CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7687274 0.85 ALDH1A1 (0.31) CYP1A2ALDH1A1MAPT
SCHEMBL7687900 0.82 KMT2A (0.36) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL7831772 0.79 TSHR (0.31) MAPT
SCHEMBL7834160 0.79 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL7833799 0.79 KMT2A (0.38) SMN1; SMN2CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL25301196 0.78 PKM (0.31)
SCHEMBL10697216 0.77 ITGB1 (0.33)
SCHEMBL25480755 0.77 FFAR4 (0.32) KMT2AALDH1A1
SCHEMBL7831775 0.77 GPR35 (0.47) KMT2AALDH1A1MAPTGAA

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 SMN1; SMN2 1637/4885CYP1A2 295/4885CYP2C9 364/4885

“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.