SCHEMBL7079025

SCHEMBL7079025

F[n+]1cc(C(F)(F)F)cc(Cl)c1S

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.37
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PLAU P00749 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 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
SCHEMBL11016366 0.78 PDE2A (0.36) PDE2AALDH1A1LMNAMAPTHTT
SCHEMBL6466452 0.71 MRGPRX4 (0.36) PDE2AALDH1A1LMNAMAPTHTT
SCHEMBL6466449 0.71 ALDH1A1 (0.34) PDE2AALDH1A1LMNAMAPTHTT
SCHEMBL10695243 0.69 PDE2A (0.39) PDE2AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL3822269 0.66 PDE2A (0.50) PDE2AALDH1A1MAPTMAPK1
SCHEMBL981089 0.63 ALDH1A1 (0.46) PDE2AALDH1A1HTTSMN1; SMN2PLAU
SCHEMBL14934971 0.63 ALDH1A1 (0.37) PDE2AALDH1A1LMNAMAPTHTT
SCHEMBL16139576 0.63 PDE2A (0.36) PDE2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL22366856 0.61 GABRB3 (0.44) PDE2AALDH1A1SMN1; SMN2PLAUKDM4E
SCHEMBL15850522 0.61 PDE2A (0.41) PDE2AALDH1A1SMN1; SMN2PLAUKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216603-A1 Method of manufacturing fluorine compounds, and a method of recovering or regenerating precursors of fluorinating agents DAIKIN INDUSTRIES LTD. (JP) 2003-11-20 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-20030216603-A1 Method of manufacturing fluorine compounds, and a method of recovering or regenerating precursors of fluorinating agents AFF1, AFF2, AFF4 PDE2A 3938/4885ALDH1A1 1752/4885LMNA 2752/4885

“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.