SCHEMBL17245236

SCHEMBL17245236

CCC[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@@H]1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
GAA P10253 1/20 0.35
RAMP1 O60894 3/20 0.34
CALCRL Q16602 3/20 0.34

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
SCHEMBL17245237 0.89 KMT2A (0.44) KMT2AL3MBTL1KDM1AMAOB
SCHEMBL17428279 0.88 GAA (0.40) KMT2AL3MBTL1KDM1AMAOBGAA
SCHEMBL17245231 0.85 KMT2A (0.43) KMT2AL3MBTL1
SCHEMBL17898731 0.81 GAA (0.39) KMT2AGAA
SCHEMBL17245225 0.80 KMT2A (0.41) KMT2AL3MBTL1
SCHEMBL19084164 0.80 KMT2A (0.44) KMT2AL3MBTL1
SCHEMBL16604078 0.79 KMT2A (0.40) KMT2AL3MBTL1KDM1AMAOBGAA
SCHEMBL17428281 0.79 KDM1A (0.41) KMT2AL3MBTL1KDM1AMAOBGAA
SCHEMBL17245217 0.79 KMT2A (0.45) KMT2AL3MBTL1
SCHEMBL17245235 0.78 KMT2A (0.34) KMT2AL3MBTL1GAA

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-9700047-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-07-11 US disclosed
US-9700047-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-07-11 US disclosed
US-20170055528-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2017-03-02 US disclosed
US-20170055528-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2017-03-02 US disclosed
US-20150322051-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC 2015-11-12 US disclosed
US-20150322051-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC 2015-11-12 US disclosed
WO-2015171408-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-11-12 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 (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-20170055528-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, CYP4F2 KMT2A 2788/4885L3MBTL1 3646/4885KDM1A 1881/4885
US-20150322051-A1 Macrocyclic picolinamides as fungicides CYP4F12, CYP1A2, FKBP2 KMT2A 3234/4885L3MBTL1 3973/4885KDM1A 1840/4885

“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.