SCHEMBL16075374

SCHEMBL16075374

COC(=O)c1nc(-c2ccc(C)c(F)c2)nc(N)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.43
▸ KDM4E B2RXH2 6/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ PKM P14618 3/20 0.38
▸ KMO O15229 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ ABCC1 P33527 1/20 0.37
▸ DHPS P49366 2/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 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
SCHEMBL20727040 0.89 KMO (0.43) SLC6A3KMOABCB1ABCC1DHPS
SCHEMBL16035507 0.87 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2PKMHSD17B10
SCHEMBL29556596 0.87 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2PKMHSD17B10
SCHEMBL29556105 0.87 KIF11 (0.40) KDM4EALDH1A1SMN1; SMN2PKMHSD17B10
SCHEMBL16036360 0.87 KIF11 (0.40) KDM4EALDH1A1SMN1; SMN2PKMHSD17B10
SCHEMBL16035648 0.86 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2PKMHSD17B10
SCHEMBL29556569 0.86 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2PKMHSD17B10
SCHEMBL16035023 0.85 KIF11 (0.44) —
SCHEMBL29556886 0.85 KIF11 (0.44) —
SCHEMBL16075380 0.82 DHPS (0.47) KDM4EALDH1A1SMN1; SMN2PKMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3440938-A1 4-AMINO-6-(4-SUBSTITUTED-PHENYL)-PICOLINATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2019-02-13 — — EP disclosed
US-9113629-B2 4-amino-6-(4-substituted-phenyl)-picolinates and 6-amino-2-(4-substituted-phenyl)-pyrimidine-4-carboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2015-08-25 — — US disclosed
US-20140274696-A1 4-AMINO-6-(4-SUBSTITUTED-PHENYL)-PICOLINATES AND 6-AMINO-2-(4-SUBSTITUTED-PHENYL)-PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-18 — — 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-20140274696-A1 4-AMINO-6-(4-SUBSTITUTED-PHENYL)-PICOLINATES AND 6-AMINO-2-(4-SUBSTITUTED-PHENYL)-PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DDT, P2RX6, ABAT SLC6A3 796/4885KDM4E 779/4885ALDH1A1 1082/4885

“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.

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