SCHEMBL5381583

SCHEMBL5381583

O=C(Nc1cc(Cl)ccc1N1C(=O)c2ccccc2C1=O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 3/20 0.56
CA9 Q16790 3/20 0.53
CA2 P00918 2/20 0.53
GAA P10253 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DNMT3A Q9Y6K1 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
F10 P00742 1/20 0.47
GRM5 P41594 1/20 0.45
PTGES O14684 1/20 0.45
HTT P42858 1/20 0.45
GRM4 Q14833 1/20 0.45

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
SCHEMBL18118626 0.76 KDM4E (0.68) GAANPC1RAB9ATDP1MEN1
SCHEMBL1307456 0.75 GRIK1 (0.67) DNM2MEN1KMT2AF10PTGES
SCHEMBL8335663 0.74 NPC1 (0.71) GAANPC1RAB9AMEN1KMT2A
SCHEMBL28466857 0.73 ALDH1A1 (0.70) GAANPC1RAB9AMEN1KMT2A
SCHEMBL2889107 0.73 GAA (0.55) GAANPC1RAB9ATDP1MEN1
SCHEMBL19554286 0.72 GAA (0.60) GAANPC1RAB9ATDP1MEN1
SCHEMBL19554191 0.71 GAA (0.47) CA9CA2GAANPC1RAB9A
SCHEMBL28943005 0.69 HDAC1 (0.60) MEN1KMT2ACA12
SCHEMBL20541898 0.69 NPC1 (0.64) GAANPC1RAB9AMEN1KMT2A
SCHEMBL6232372 0.69 NPC1 (0.69) NPC1RAB9ATDP1MEN1KMT2A

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 DNM2 3156/4885CA9 1231/4885CA2 3346/4885

“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.