SCHEMBL6061971

SCHEMBL6061971

COc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(C(=O)O)ccc(I)c2C)n1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
CDK1 P06493 1/20 0.35
ALOX15 P16050 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL694106 0.84 GAA (0.41) GAACDK1MAPTALDH1A1KDM4E
Iodosulfuron SCHEMBL29686924 0.82 CDK1 (0.42) GAACDK1ALOX15MAPTALDH1A1
Iodosulfuron SCHEMBL119814 0.82 CDK1 (0.42) GAACDK1ALOX15MAPTALDH1A1
Iodosulfuron SCHEMBL29355338 0.82 CDK1 (0.42) GAACDK1ALOX15MAPTALDH1A1
Iodosulfuron SCHEMBL7638003 0.82 CDK1 (0.42) GAACDK1ALOX15MAPTALDH1A1
Iodosulfuron SCHEMBL6061256 0.82 CDK1 (0.42) GAACDK1ALOX15MAPTALDH1A1
Iodosulfuron SCHEMBL21582014 0.82 CDK1 (0.42) GAACDK1ALOX15MAPTALDH1A1
Iodosulfuron SCHEMBL16670263 0.82 CDK1 (0.42) GAACDK1ALOX15MAPTALDH1A1
SCHEMBL2622465 0.81 GAA (0.39) GAAALOX15MAPTALDH1A1KDM4E
Iodosulfuron SCHEMBL1807658 0.81 CDK1 (0.41) GAACDK1ALOX15MAPTALDH1A1

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-7135434-B2 Herbicidally active composition comprising a mixture of A. a herbicidally active amount of one or more compounds of the HOECHST SCHERING AGREVO GMBH (DE) 2006-11-14 US disclosed
US-6914035-B2 Combinations of herbicides and safeners BAYER CROPSCIENCE GMBH (DE) 2005-07-05 US disclosed
US-20030171220-A1 Combinations of herbicides and safeners BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-09-11 US disclosed
US-20030130120-A1 Combinations of herbicides and safeners BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-07-10 US disclosed
US-6511940-B1 Mixture of isoxazole derivative or cyclohexen-3-one derivative with antidote comprising quinoline, isoxazole, pyrazole or N-acylsulfonamide derivative HOECHST SCHERING AGREVO GMBH (DE) 2003-01-28 US disclosed
US-6211118-B1 Herbicidal compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-03 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 (2 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-20030171220-A1 Combinations of herbicides and safeners DDT, CYP2B6, CYP2A6 GAA 526/4885CDK1 3803/4885ALOX15 1765/4885
US-20030130120-A1 Combinations of herbicides and safeners DDT, GSTO1, CYP2W1 GAA 503/4885CDK1 3679/4885ALOX15 1844/4885

“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.