SCHEMBL17892906

SCHEMBL17892906

COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@@H](COc2ccccc2)Cc2ccccc2)c1O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
CTSA P10619 1/20 0.35
POLB P06746 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
SCHEMBL17892905 1.00 TDP1 (0.37) TDP1GAARAB9AATMMEN1
SCHEMBL17892904 1.00 TDP1 (0.37) TDP1GAARAB9AATMMEN1
SCHEMBL17901469 0.93 TDP1 (0.40) TDP1GAARAB9AATMMEN1
SCHEMBL17901455 0.90 ATM (0.40) TDP1ATMMAPTPOLB
SCHEMBL17901452 0.90 TAS1R3 (0.39) TDP1GAARAB9AATMMEN1
SCHEMBL21581226 0.90 TDP1 (0.39) TDP1GAARAB9AATMMEN1
SCHEMBL17901446 0.90 TDP1 (0.35) TDP1ATMMEN1KMT2AMAPT
SCHEMBL17901543 0.89 TDP1 (0.36) TDP1GAARAB9AATMMEN1
SCHEMBL20627013 0.89 TDP1 (0.36) TDP1GAARAB9AATMMEN1
SCHEMBL17901437 0.89 TDP1 (0.36) TDP1GAARAB9AATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240408-B1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-04-08 EP disclosed
EP-3240408-B1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-04-08 EP disclosed
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2019-11-28 US disclosed
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2019-11-28 US disclosed
US-10252989-B2 Picolinamides with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-04-09 US disclosed
US-10252989-B2 Picolinamides with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-04-09 US disclosed
US-10173971-B2 Picolinamides with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-08 US disclosed
US-10173971-B2 Picolinamides with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-08 US disclosed
US-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-02-08 US disclosed
US-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-02-08 US disclosed
US-20170369421-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2017-12-28 US disclosed
EP-3240409-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
EP-3240408-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
WO-2016109300-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109301-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109300-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109301-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 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 (5 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-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 TDP1 2339/4885GAA 1408/4885RAB9A 4314/4885
US-20170369421-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 TDP1 2339/4885GAA 1408/4885RAB9A 4314/4885
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 TDP1 2339/4885GAA 1408/4885RAB9A 4314/4885
US-10173971-B2 Picolinamides with fungicidal activity CYP51A1, CYP1A2, FKBP14 TDP1 2339/4885GAA 1408/4885RAB9A 4314/4885
US-10252989-B2 Picolinamides with fungicidal activity CYP51A1, CYP1A2, FKBP14 TDP1 2339/4885GAA 1408/4885RAB9A 4314/4885

“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.