SCHEMBL19640314

SCHEMBL19640314

CC(C)(C)c1cc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)ns1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
MGLL Q99685 2/20 0.44
ATM Q13315 1/20 0.43
NR1H4 Q96RI1 1/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
MAPT P10636 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MYOC Q99972 1/20 0.39
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
SCD O00767 2/20 0.37

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
SCHEMBL171227 0.78 NPC1 (0.58) GAAMGLLMAPTNPC1RAB9A
SCHEMBL3080087 0.73 RAB9A (0.67) GAAMGLLMAPTNPC1RAB9A
SCHEMBL20971726 0.72 MGLL (0.47) GAAMGLLATMBCL9CTNNB1
SCHEMBL2440741 0.72 ALDH1A1 (0.49) GAAMGLLATMNR1H4BCL9
SCHEMBL21479385 0.72 NPC1 (0.47) GAAMGLLATMBCL9CTNNB1
SCHEMBL1733955 0.71 MGLL (0.57) GAAMGLLNR1H4BCL9CTNNB1
SCHEMBL3573967 0.71 MAPT (0.66) GAAMGLLATMMAPTNPC1
SCHEMBL29708145 0.71 GAA (0.50) GAAMGLLATMBCL9CTNNB1
SCHEMBL16862865 0.70 NPC1 (0.47) GAAMGLLATMBCL9CTNNB1
SCHEMBL2477935 0.70 NPC1 (0.57) MGLLMAPTNPC1RAB9AKMT2A

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
US-10653143-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2020-05-19 US disclosed
EP-3215502-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-04-24 EP disclosed
US-20170339954-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-11-30 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 (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-20170339954-A1 HERBICIDAL COMPOUNDS DDT, HAX1, HDHD5 GAA 1275/4885MGLL 1946/4885ATM 4450/4885
US-10653143-B2 Herbicidal compounds DDT, HAX1, HDHD5 GAA 1275/4885MGLL 1946/4885ATM 4450/4885

“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.