SCHEMBL19628397

SCHEMBL19628397

C[C@@H]1OC(=O)[C@@H](NC(=O)OC(C)(C)C)CCO[C@H](Cc2ccccc2)[C@H]1Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAAA Q02083 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL19628419 0.94 TP53 (0.34) KMT2AL3MBTL1NAAAMEN1CYP1A2
SCHEMBL19628394 0.94 SCN9A (0.37) KMT2AL3MBTL1NAAAKDM1AMAOB
SCHEMBL19628408 0.91 KDM1A (0.36) KMT2AL3MBTL1NAAAKDM1AMAOB
SCHEMBL19628402 0.88 REN (0.37) KMT2AL3MBTL1KDM1AMAOB
SCHEMBL17427146 0.87 KMT2A (0.40) KMT2AL3MBTL1NAAA
SCHEMBL19628393 0.87 KMT2A (0.36) KMT2AL3MBTL1NAAA
SCHEMBL16605405 0.85 KMT2A (0.43) KMT2AL3MBTL1NAAAKDM1AMAOB
SCHEMBL17898805 0.85 KMT2A (0.41) KMT2AL3MBTL1NAAAKDM1AMAOB
SCHEMBL17760967 0.83 KMT2A (0.35) KMT2ANAAAMEN1CYP1A2
SCHEMBL19628421 0.82 GAA (0.33) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334934-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-11-23 US disclosed
US-20170334934-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-11-23 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-20170334934-A1 Macrocyclic picolinamides as fungicides CYP4F12, CYP1A2, FKBP2 KMT2A 3234/4885L3MBTL1 3973/4885NAAA 2646/4885

“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.