SCHEMBL7578613

SCHEMBL7578613

COc1nc(C)nc(N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1.C[C@H](OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Cl)C(=O)O.O=C(O)COc1ccc(Cl)c2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 6/20 0.33
CYP3A4 P08684 4/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SLC40A1 Q9NP59 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TTR P02766 1/20 0.31
PPOX P50336 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FFAR1 O14842 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL7589518 0.91 MEN1 (0.37) UGCGCYP3A4MEN1KMT2AKDM4E
SCHEMBL7585257 0.91 KDM4E (0.32) UGCGCYP3A4MEN1KMT2ASLC40A1
Lactofen SCHEMBL7576922 0.90 MEN1 (0.38) UGCGCYP3A4MEN1KMT2AMAPT
Acifluorfen SCHEMBL7581642 0.89 KMT2A (0.45) UGCGCYP3A4MEN1KMT2ASLC40A1
Chlorsulfuron SCHEMBL7589400 0.86 KDM4E (0.34) MEN1KMT2ASLC40A1KDM4EHSP90AA1
Oxyfluorfen SCHEMBL7578950 0.86 KMT2A (0.39) UGCGCYP3A4MEN1KMT2ASLC40A1
SCHEMBL7579108 0.86 MEN1 (0.39) UGCGCYP3A4MEN1KMT2AKDM4E
Iodosulfuron SCHEMBL7584927 0.85 KDM4E (0.31) MEN1KMT2AKDM4EHSP90AA1MAPT
SCHEMBL7578244 0.84 KDM4E (0.31) MEN1KMT2AKDM4EHSP90AA1MAPT
Logran SCHEMBL7587995 0.84 KDM4E (0.31) MEN1KMT2AKDM4EHSP90AA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020004457-A1 Herbicidal composition SYNGENTA PARTICIPATIONS AG (CH) 2002-01-10 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-20020004457-A1 Herbicidal composition PPOX, ALAD, DDT UGCG 3358/4885CYP3A4 179/4885MEN1 4274/4885

“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.