SCHEMBL4980438

SCHEMBL4980438

Nc1ncnc2c1CCN(S(=O)(=O)c1ccc(Oc3cccnc3)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.40
MMP2 P08253 1/20 0.40
ADAM17 P78536 1/20 0.40
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAP4K4 O95819 1/20 0.38
NAMPT P43490 2/20 0.38
MKNK1 Q9BUB5 2/20 0.38
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TNK2 Q07912 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
CNR2 P34972 1/20 0.36
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36
HRH3 Q9Y5N1 1/20 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
SCHEMBL4985250 0.90 LMNA (0.40) MMP1MMP2ADAM17KMT2ALMNA
SCHEMBL4980965 0.90 SMN1; SMN2 (0.49) KMT2ALMNASMN1; SMN2MKNK1MAPT
SCHEMBL4983071 0.85 PKM (0.48) LMNASMN1; SMN2MKNK1ALDH1A1HTT
SCHEMBL4986098 0.85 F12 (0.45) NAMPTHTTCNR2PDE10A
SCHEMBL4989425 0.84 MMP2 (0.40) MMP1MMP2KMT2ALMNASMN1; SMN2
SCHEMBL4982880 0.83 L3MBTL1 (0.42) KMT2ALMNASMN1; SMN2MKNK1ALDH1A1
SCHEMBL4987016 0.82 PKM (0.51) LMNASMN1; SMN2MKNK1ALDH1A1HTT
SCHEMBL5141450 0.80 MMP1 (0.40) MMP1MMP2ADAM17KMT2ALMNA
SCHEMBL4985230 0.79 MEN1 (0.43) KMT2AMEN1
SCHEMBL4982847 0.79 LMNA (0.41) KMT2ALMNASMN1; SMN2MKNK1ALDH1A1

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 MMP1 1115/4885MMP2 802/4885ADAM17 852/4885

“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.