SCHEMBL124680

SCHEMBL124680

O=C(O)c1cc2ccc(N3CCOCC3)nc2nc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
SLC16A3 O15427 1/20 0.43
PIK3CA P42336 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCHR1 Q99705 1/20 0.41
PIK3CD O00329 3/20 0.41
PIK3C2B O00750 3/20 0.41
MTOR P42345 3/20 0.41
PIK3CB P42338 3/20 0.41
PIK3CG P48736 2/20 0.41
KMO O15229 1/20 0.40
SHMT2 P34897 2/20 0.40
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DGAT1 O75907 2/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39

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
SCHEMBL15923640 0.85 PKM (0.50) PKMPIK3CAGAAKDM4ENPSR1
SCHEMBL125869 0.84 HSD17B10 (0.52) PKMPIK3CAKDM4ENPSR1SHMT2
SCHEMBL124475 0.80 GLA (0.40) PKMSLC16A3PIK3CAGAAKDM4E
SCHEMBL122983 0.74 TAS2R14 (0.40) KDM4EMAPT
SCHEMBL15923396 0.72 KDM4E (0.40) PKMKDM4EMCHR1DGAT1
SCHEMBL125802 0.72 GFER (0.43) PKMKDM4ENPSR1
SCHEMBL124762 0.72 XPO1 (0.46) KDM4E
SCHEMBL18394769 0.72 PKM (0.57) PKMSLC16A3PIK3CAGAAKDM4E
SCHEMBL125060 0.70 GFER (0.39) KDM4ENPSR1MAPT
SCHEMBL125428 0.70 GFER (0.39) SLC16A3KDM4ENPSR1MAPTSMN1; 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
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
CN-102006777-A Herbicidal coumpounds SYNGENTA LTD 2011-04-06 CN disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 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 (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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT PKM 2313/4885SLC16A3 2612/4885PIK3CA 1994/4885

“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.