SCHEMBL4024160

SCHEMBL4024160

O=C(Cl)C1CCCC(C(F)(F)F)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
IL1B P01584 1/20 0.30
P2RX7 Q99572 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
SCHEMBL26620727 0.83 BTK (0.41) MITFCES2CES1
SCHEMBL25250387 0.83 BTK (0.41) MITFCES2CES1
SCHEMBL849602 0.83 BTK (0.41) MITFCES2CES1
SCHEMBL30726182 0.82 KDM4E (0.38) MITFCES2CES1NR1H2NR1H3
SCHEMBL15541922 0.82 KDM4E (0.38) MITFCES2CES1NR1H2NR1H3
SCHEMBL3126066 0.82 KDM4E (0.38) MITFCES2CES1NR1H2NR1H3
Hydrochloric Acid SCHEMBL15542195 0.80 KDM4E (0.37) MITFNR1H2NR1H3
SCHEMBL4021239 0.80 OAT (0.31)
SCHEMBL15443019 0.77 SMN1; SMN2 (0.40) MITF
SCHEMBL25757922 0.77 MITF (0.33) MITFNR1H2NR1H3

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
WO-2009100403-A1 SUBSTITUTED ARYL PYRIMIDINONES NEUROGEN CORPORATION (US) 2009-08-13 WO disclosed
WO-2009100403-A1 SUBSTITUTED ARYL PYRIMIDINONES NEUROGEN CORPORATION (US) 2009-08-13 WO disclosed
WO-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed
WO-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed
US-7087605-B2 5-Ethyl-imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
EP-1397363-B1 5-ETHYL-IMIDAZOTRIAZINONES BAYER HEALTHCARE AG (DE) 2005-05-11 EP disclosed
US-20040254187-A1 5-ethyl-imidazotriazinones BAYER HEALTHCARE AG (DE) 2004-12-16 US disclosed
EP-1397363-A1 5-ETHYL-IMIDAZOTRIAZINONES Bayer HealthCare AG (DE) 2004-03-17 EP disclosed
WO-2002098880-A1 5-ETHYL-IMIDAZOTRIAZINONES BAYER HEALTHCARE AG (DE) 2002-12-12 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-20040254187-A1 5-ethyl-imidazotriazinones EPX, TPMT, IL5 MITF 1873/4885CES2 1980/4885CES1 1413/4885

“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.