SCHEMBL5388347

SCHEMBL5388347

COc1c(Cl)cc(F)c(N2C(=O)c3ccccc3C2=O)c1NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.44
SENP7 Q9BQF6 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NQO2 P16083 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
PLAU P00749 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL5437243 0.80 KDM4E (0.41) CASP3SENP7NPC1RAB9AABCG2
SCHEMBL7565226 0.78 NPC1 (0.38) CASP3SENP7NPC1RAB9AABCG2
SCHEMBL5391376 0.72 SCN2A (0.43) MEN1KMT2A
SCHEMBL7517958 0.71 GRIN2D (0.37) RAB9AMEN1KMT2AMAPT
SCHEMBL5389343 0.69 GRIN2D (0.43) NPC1RAB9AALDH1A1MAPT
SCHEMBL5381583 0.68 DNM2 (0.56) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL7955280 0.67 RAB9A (0.38) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL9709123 0.65 ATM (0.69) CASP3SENP7NPC1RAB9AMEN1
SCHEMBL7517955 0.63 GRIN2D (0.38) MAPT
SCHEMBL21870146 0.63 NPC1 (0.60) CASP3SENP7NPC1RAB9AMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39590-E1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INCORPORATED (US) 2007-04-24 US disclosed
US-6545161-B2 Potato and corn crops ISK AMERICAS INCORPORATED 2003-04-08 US disclosed
EP-1030843-A4 SUBSTITUTED BENZENE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL AND DEFOLIANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2002-11-06 EP disclosed
US-20020133007-A1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INCORPORATED 2002-09-19 US disclosed
US-6355799-B1 PREEMERGENT HERBICIDE FOR CEREAL CROP FIELDS, DEFOLIANT FOR POTATO AND COTTON PLANTS ISK AMERICAS INCORPORATED 2002-03-12 US disclosed
EP-1030843-A1 SUBSTITUTED BENZENE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL AND DEFOLIANT COMPOSITIONS CONTAINING THEM ISK Americas Incorporated (US) 2000-08-30 EP disclosed
WO-1999021837-A1 SUBSTITUTED BENZENE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL AND DEFOLIANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INCORPORATED (US) 1999-05-06 WO 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-20020133007-A1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them DDT, CYP4X1, CYP1A1 CASP3 258/4885SENP7 3149/4885NPC1 3757/4885

“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.