SCHEMBL7684170

SCHEMBL7684170

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(/N=C3\SCC(=O)N3Cc3ccccc3)c(Cl)cc2F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
MAOA P21397 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL7684171 1.00 MAPT (0.42) MAPTALDH1A1L3MBTL1CA9SMN1; SMN2
SCHEMBL7684351 0.94 MAPT (0.42) MAPTALDH1A1L3MBTL1CA9SMN1; SMN2
SCHEMBL7684346 0.94 MAPT (0.42) MAPTALDH1A1L3MBTL1CA9SMN1; SMN2
SCHEMBL7684744 0.93 MAPT (0.39) MAPTALDH1A1L3MBTL1CA9SMN1; SMN2
SCHEMBL7684749 0.93 MAPT (0.39) MAPTALDH1A1L3MBTL1CA9SMN1; SMN2
SCHEMBL7690669 0.93 MAPT (0.39) MAPTALDH1A1L3MBTL1CA9SMN1; SMN2
SCHEMBL7690667 0.93 MAPT (0.39) MAPTALDH1A1L3MBTL1CA9SMN1; SMN2
SCHEMBL7688767 0.93 KCNN4 (0.41) MAPTALDH1A1L3MBTL1CA9LMNA
SCHEMBL7688768 0.93 KCNN4 (0.41) MAPTALDH1A1L3MBTL1CA9LMNA
SCHEMBL7979266 0.93 MAPT (0.41) MAPTALDH1A1L3MBTL1CA9SMN1; SMN2

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 6 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 claimed
US-6303783-B1 1- (3-Heterocyclylphenyl) isothiourea, -isourea, -guanidine and -amidine herbicidal agents AMERICAN CYANAMID CO. 2001-10-16 US claimed
EP-0985670-A1 1-(3-Heterocyclylphenyl)isothiourea, -isourea, -guanidine and -amidine compounds as herbicides American Cyanamid Company (US) 2000-03-15 EP claimed
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 MAPT 3732/4885ALDH1A1 137/4885L3MBTL1 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.