SCHEMBL7687900

SCHEMBL7687900

CC(=O)Nc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ROCK2 O75116 1/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PYGL P06737 1/20 0.32
BRPF1 P55201 1/20 0.32
PGK1 P00558 1/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL27692741 0.89 DHODH (0.33) KMT2AMEN1TP53ALDH1A1MAPT
SCHEMBL7831772 0.86 TSHR (0.31) TP53MAPT
SCHEMBL7687274 0.86 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL27674195 0.86 DHODH (0.33) HPGDALOX15DHODH
SCHEMBL7833799 0.86 KMT2A (0.38) KMT2AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7831775 0.84 GPR35 (0.47) KMT2AALDH1A1MAPTNPC1HPGD
SCHEMBL7665193 0.84
SCHEMBL7665197 0.84
SCHEMBL7680082 0.83 CYP1A2 (0.33) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10695876 0.83 BCAT1 (0.34)

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 9 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-0563384-B1 URACIL DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2001-10-04 EP disclosed
EP-0985670-A1 1-(3-Heterocyclylphenyl)isothiourea, -isourea, -guanidine and -amidine compounds as herbicides American Cyanamid Company (US) 2000-03-15 EP disclosed
US-5356863-A Herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-18 US disclosed
EP-0563384-A1 URACIL DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1993-10-06 EP disclosed
US-5154755-A Uracil derivatives and herbicides containing the same as active ingredient NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-10-13 US disclosed
EP-0489480-A1 Uracil derivatives and herbicides containing the same as active ingredient NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-06-10 EP disclosed
US-5084084-A Uracil and thiouracil derivatives NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-01-28 US 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 KMT2A 2703/4885MEN1 3680/4885ROCK2 3974/4885

“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.