SCHEMBL16075397

SCHEMBL16075397

COC(=O)c1nc(-c2ccc(I)cc2)nc(N)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 9/20 0.48
KDM4E B2RXH2 5/20 0.41
PKM P14618 3/20 0.41
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
RCE1 Q9Y256 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 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
SCHEMBL16075438 0.88 DHPS (0.52) DHPSKDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL16075380 0.88 DHPS (0.47) DHPSKDM4EPKMCYP1A1CYP1A2
SCHEMBL16075444 0.86 DHPS (0.48) DHPSKDM4EPKMCYP1A1CYP1A2
SCHEMBL16075486 0.86 KDM4E (0.51) DHPSKDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL16036987 0.85 KDM4E (0.40) DHPSKDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL16036714 0.84 ALDH1A1 (0.48) DHPSKDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL16075480 0.83 KDM4E (0.39) DHPSKDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL16075460 0.83 CISD2 (0.41) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL16035507 0.83 KDM4E (0.37) DHPSKDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL29556596 0.83 KDM4E (0.37) DHPSKDM4EPKMALDH1A1SMN1; SMN2

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 6 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-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
WO-2014150850-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) 2014-09-25 WO 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
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 DHPS 1389/4885KDM4E 779/4885PKM 743/4885

“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.