SCHEMBL6429871

SCHEMBL6429871

CSc1noc(C2CC2)c1C(=O)c1ccc(C(F)(F)F)nc1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.37
GAA P10253 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CXCR4 P61073 1/20 0.34
CRACR2A Q9BSW2 1/20 0.33
PDE2A O00408 2/20 0.33
IDO1 P14902 2/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL7463504 0.87 GPBAR1 (0.35) PTGDR2GPBAR1
SCHEMBL6429850 0.82 LMNA (0.36) LMNAPTGDR2GAAGPBAR1NPC1
SCHEMBL8173897 0.79 KMT2A (0.38) PTGDR2GPBAR1HCRTR1
SCHEMBL5161145 0.78 DHODH (0.43) LMNAPTGDR2GAANPC1RAB9A
SCHEMBL8179044 0.77 RORC (0.36) LMNAPTGDR2NPC1RAB9AKDM4E
SCHEMBL6600395 0.77 NPC1 (0.34) NPC1RAB9A
SCHEMBL12267819 0.76 KDM4E (0.32) KDM4E
SCHEMBL6054858 0.76 CACNA1B (0.39) PTGDR2IDO1
SCHEMBL6595018 0.74 NPC1 (0.38) LMNAGAAGPBAR1NPC1RAB9A
SCHEMBL7456713 0.72 CXCR4 (0.41) LMNAPTGDR2KDM4ECXCR4HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890885-B2 Herbicidal composition SYNGENTA CORP PROTECTION, INC. (US) 2005-05-10 US disclosed
EP-1520472-A2 Herbicidal compositions comprising pyridoyl-1,3-cyclodiones Syngenta Participations AG (CH) 2005-04-06 EP disclosed
US-20040106519-A1 Herbicidal composition SYNGENTA CROP PROTECTION, INC. 2004-06-03 US disclosed
US-6498125-B2 Pyridine ketones useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2002-12-24 US disclosed
EP-1250047-A2 HERBICIDAL COMPOSITION Syngenta Participations AG (CH) 2002-10-23 EP disclosed
US-20020016345-A1 Pyridine ketones useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2002-02-07 US disclosed
WO-2001054501-A2 HERBICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2001-08-02 WO disclosed
EP-1114030-A1 PYRIDINE KETONES USEFUL AS HERBICIDES Syngenta Participations AG (CH) 2001-07-11 EP disclosed
WO-2000015615-A1 PYRIDINE KETONES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-03-23 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 (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-20040106519-A1 Herbicidal composition DDT, ACHE, CYP1B1 LMNA 4519/4885PTGDR2 1691/4885GAA 561/4885
US-20020016345-A1 Pyridine ketones useful as herbicides DDT, PDHA1, IDH2 LMNA 4284/4885PTGDR2 2697/4885GAA 721/4885

“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.