SCHEMBL2895226

SCHEMBL2895226

COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2I)n1.[MgH2]

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 2/20 0.37
CDK1 P06493 1/20 0.37
FBP1 P09467 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL29489600 0.99 ALDH1A1 (0.46) MAPTALDH1A1KDM4ENPC1GAA
SCHEMBL987879 0.99 ALDH1A1 (0.46) MAPTALDH1A1KDM4ENPC1GAA
SCHEMBL29360781 0.99 ALDH1A1 (0.46) MAPTALDH1A1KDM4ENPC1GAA
SCHEMBL2892703 0.98 ALDH1A1 (0.48) MAPTALDH1A1KDM4ENPC1GAA
SCHEMBL2892755 0.98 ALDH1A1 (0.45) MAPTALDH1A1KDM4ENPC1GAA
Lithium SCHEMBL2893392 0.98 ALDH1A1 (0.45) MAPTALDH1A1KDM4ENPC1GAA
SCHEMBL2893387 0.98 ALDH1A1 (0.45) MAPTALDH1A1KDM4ENPC1GAA
Potassium SCHEMBL2892705 0.98 ALDH1A1 (0.45) MAPTALDH1A1KDM4ENPC1GAA
SCHEMBL2892748 0.98 ALDH1A1 (0.45) MAPTALDH1A1KDM4ENPC1GAA
Ammonia Solution, Strong SCHEMBL2895237 0.98 ALDH1A1 (0.45) MAPTALDH1A1KDM4ENPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100285964-A1 SALTS OF 2-IODO-N-[(4-METHOXY-6-METHYL-1,3, 5-TRIAZINE-2-YL) CARBAMOYL] BENZENESULFONAMIDE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYERCROPSCIENCE AG (DE) 2010-11-11 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-20100285964-A1 SALTS OF 2-IODO-N-[(4-METHOXY-6-METHYL-1,3, 5-TRIAZINE-2-YL) CARBAMOYL] BENZENESULFONAMIDE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS MYB, INMT, AS3MT MAPT 4121/4885ALDH1A1 2663/4885KDM4E 68/4885

“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.