SCHEMBL20657405

SCHEMBL20657405

COc1ccc(/N=C(\C)C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.60
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
CES2 O00748 2/20 0.44
ACHE P22303 2/20 0.44
CES1 P23141 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL19149163 1.00 NOS3 (0.60) NOS3HTR3EHTR3BHTR3AHTR3D
SCHEMBL19148979 0.83 NOS3 (0.54) NOS3NOS1NOS2MAPTMEN1
SCHEMBL20657461 0.83 NOS3 (0.54) NOS3NOS1NOS2MAPTMEN1
SCHEMBL14378455 0.79 NOS3 (0.53) NOS3HTR3EHTR3BHTR3AHTR3D
SCHEMBL28676089 0.79 NOS3 (0.53) NOS3HTR3EHTR3BHTR3AHTR3D
SCHEMBL5546921 0.79 NOS3 (0.53) NOS3HTR3EHTR3BHTR3AHTR3D
SCHEMBL5546925 0.79 NOS3 (0.53) NOS3HTR3EHTR3BHTR3AHTR3D
SCHEMBL20657397 0.79 HTR3E (0.60) NOS3HTR3EHTR3BHTR3AHTR3D
SCHEMBL19148200 0.79 HTR3E (0.60) NOS3HTR3EHTR3BHTR3AHTR3D
SCHEMBL20657418 0.78 NOS1 (0.59) NOS3HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-23 US disclosed
US-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 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 (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-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES KCNQ1, KCNQ2, KCNQ4 NOS3 3640/4885HTR3E 1006/4885HTR3B 571/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 NOS3 3640/4885HTR3E 1006/4885HTR3B 571/4885

“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.