SCHEMBL9908807

SCHEMBL9908807

CS/C(=N\c1ccccc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.45
NOS3 P29474 5/20 0.45
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
PLAU P00749 1/20 0.41
NOS2 P35228 2/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
SLC6A2 P23975 1/20 0.38
GRIN1 Q05586 1/20 0.38

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
SCHEMBL11568501 0.75 HTR3E (0.50) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL16374609 0.74 NOS1 (0.54) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL5140496 0.74 NOS1 (0.54) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL31513660 0.73 HTR3E (0.48) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL30424922 0.73 HTR3E (0.48) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL13292290 0.71 NOS1 (0.56) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL398432 0.70 HTR3E (0.44) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL398431 0.70 HTR3E (0.44) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL28674580 0.70 HTR3E (0.44) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL1743759 0.70 HTR3E (0.44) NOS1NOS3HTR3EHTR3BHTR3A

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-20160060365-A1 HEPARAN SULFATE SYNTHESIS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2016-03-03 US disclosed
US-20120142560-A1 HEPARAN SULFATE SYNTHESIS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-06-07 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 (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-20160060365-A1 HEPARAN SULFATE SYNTHESIS HPSE, STT3B, DDOST NOS1 4573/4885NOS3 4296/4885HTR3E 3764/4885

“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.