SCHEMBL4983071

SCHEMBL4983071

COc1ccc(Oc2ccc(S(=O)(=O)N3CCc4c(N)ncnc4C3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.48
NPC1 O15118 1/20 0.48
PKLR P30613 1/20 0.48
RAB9A P51151 1/20 0.48
MKNK1 Q9BUB5 11/20 0.47
HTT P42858 1/20 0.45
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4987016 0.97 PKM (0.51) PKMNPC1PKLRRAB9AMKNK1
SCHEMBL4980965 0.91 SMN1; SMN2 (0.49) MKNK1HTTALDH1A1LMNATSHR
SCHEMBL4985250 0.89 LMNA (0.40) PKMMKNK1HTTALDH1A1LMNA
SCHEMBL4982880 0.86 L3MBTL1 (0.42) MKNK1HTTHSD11B1ALDH1A1L3MBTL1
SCHEMBL4980438 0.85 MMP1 (0.40) MKNK1HTTALDH1A1LMNASMN1; SMN2
SCHEMBL4989425 0.85 MMP2 (0.40) MKNK1HTTALDH1A1KDM4ELMNA
SCHEMBL4988177 0.85 MKNK1 (0.47) PKMPKLRMKNK1ALDH1A1LMNA
SCHEMBL4988330 0.84 CD4 (0.50) PKMRAB9AHTTHSD11B1ALDH1A1
SCHEMBL4992079 0.83 CYP3A4 (0.58) PKMHTTHSD11B1ALDH1A1KDM4E
SCHEMBL4982847 0.83 LMNA (0.41) PKMMKNK1ALDH1A1LMNASMN1; SMN2

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 PKM 1098/4885NPC1 2233/4885PKLR 1213/4885

“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.