SCHEMBL5161679

SCHEMBL5161679

Cc1nc(C(F)(F)F)ccc1C(=O)CC(=O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.45
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
HTR1A P08908 1/20 0.36

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
SCHEMBL5264374 0.77 LMNA (0.50) LMNANPC1RAB9AGAA
SCHEMBL6119655 0.77 LMNA (0.50) LMNANPC1RAB9AGAA
Bromide SCHEMBL6117333 0.76 LMNA (0.49) LMNANPC1RAB9AGAA
SCHEMBL8815743 0.75 LIPC (0.42)
SCHEMBL5428730 0.75 NPC1 (0.57) LMNANPC1RAB9AGAAHTR1A
SCHEMBL27656222 0.74 LMNA (0.56) LMNANPC1RAB9AGAATUBB4A
SCHEMBL5266119 0.73 LMNA (0.47) LMNANPC1RAB9AGAA
SCHEMBL5426961 0.73 LMNA (0.53) LMNANPC1RAB9AGAA
SCHEMBL5423509 0.73 LMNA (0.53) LMNANPC1RAB9AGAA
SCHEMBL8489065 0.73 CACNA1B (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758896-A1 PYRIDINYL-ISOXAZOLES AND THEIR USE AS HERBICIDES Bayer CropScience GmbH (DE) 2007-03-07 EP disclosed
WO-2005123726-A1 PYRIDINYL-ISOXAZOLES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2005-12-29 WO disclosed
US-20050282707-A1 Pyridinylisoxazoles and their use as herbicides BAYER CROPSCIENCE GMBH (DE) 2005-12-22 US disclosed
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 (3 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 4519/4885NPC1 4467/4885RAB9A 4200/4885
US-20020016345-A1 Pyridine ketones useful as herbicides DDT, PDHA1, IDH2 LMNA 4284/4885NPC1 4388/4885RAB9A 3699/4885
US-20050282707-A1 Pyridinylisoxazoles and their use as herbicides PRDX1, CYP4X1, PRDX4 LMNA 2335/4885NPC1 4857/4885RAB9A 2307/4885

“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.