SCHEMBL5515985

SCHEMBL5515985

FC(F)(F)c1nnc2c3ccccc3c(Cl)nn12

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.62
RXFP1 Q9HBX9 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CACNA2D1 P54289 15/20 0.41

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
SCHEMBL14832794 0.78 RXFP1 (0.69) KAT2BRXFP1L3MBTL1ALDH1A1HTT
SCHEMBL496605 0.77 RXFP1 (0.55) RXFP1L3MBTL1
SCHEMBL31146696 0.75 RXFP1 (1.00) KAT2BRXFP1L3MBTL1HTTMEN1
SCHEMBL5524673 0.75 RXFP1 (1.00) KAT2BRXFP1L3MBTL1HTTMEN1
SCHEMBL497285 0.72 NPC1 (0.69) RXFP1L3MBTL1SMN1; SMN2
SCHEMBL15426081 0.72 KAT2B (0.52) KAT2BALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22323375 0.71 ALDH1A1 (0.41) KAT2BRXFP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL496713 0.71 RXFP1 (0.59) RXFP1L3MBTL1HTTMEN1KMT2A
SCHEMBL2830794 0.70 RXFP1 (0.62) RXFP1L3MBTL1ALDH1A1HTTMEN1
SCHEMBL7479574 0.69 RXFP1 (0.56) RXFP1L3MBTL1HTTMEN1KMT2A

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-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain MERCK & CO., INC. 2007-09-13 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-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain PER2, CNR2, OPRD1 KAT2B 2437/4885RXFP1 2969/4885L3MBTL1 1588/4885

“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.