SCHEMBL22436033

SCHEMBL22436033

CCCCCCC(CCC)c1ncnc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
S1PR2 O95136 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL22918311 0.97 SMN1; SMN2 (0.54) SMN1; SMN2LMNAS1PR2NPSR1KMT2A
SCHEMBL25679866 0.91 SMN1; SMN2 (0.44) SMN1; SMN2LMNAS1PR2NPSR1KMT2A
SCHEMBL21362866 0.77 SMN1; SMN2 (0.43) SMN1; SMN2LMNAS1PR2NPSR1KMT2A
SCHEMBL27877228 0.77 SMN1; SMN2 (0.47) SMN1; SMN2LMNAS1PR2NPSR1KMT2A
SCHEMBL22966403 0.75 LMNA (0.44) SMN1; SMN2LMNAS1PR2NPSR1TLR7
SCHEMBL22966426 0.75 LMNA (0.44) SMN1; SMN2LMNAS1PR2NPSR1TLR7
Heptane SCHEMBL27871641 0.73 SMN1; SMN2 (0.60) SMN1; SMN2LMNAS1PR2NPSR1KMT2A
SCHEMBL22966357 0.73 SMN1; SMN2 (0.42) SMN1; SMN2LMNAS1PR2NPSR1TLR7
Hexane SCHEMBL27871520 0.72 SMN1; SMN2 (0.58) SMN1; SMN2LMNAS1PR2NPSR1KMT2A
SCHEMBL24984075 0.71 FAAH (0.37) FAAHMGLLHSD17B10ALDH1A1KDM4E

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-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 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-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 SMN1; SMN2 3306/4885LMNA 3502/4885S1PR2 1337/4885

“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.