SCHEMBL4982944

SCHEMBL4982944

COc1ccc(OC)c(S(=O)(=O)N2CCc3c(N)ncnc3C2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 2/20 0.48
RECQL P46063 1/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 2/20 0.47
MCOLN3 Q8TDD5 1/20 0.45
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4992497 0.92 MAPK1 (0.44) KMT2AALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL4985509 0.90 KMT2A (0.56) KMT2AALDH1A1KDM4ERECQLUSP2
SCHEMBL4987016 0.84 PKM (0.51) ALDH1A1L3MBTL1KDM4ELMNAHTT
SCHEMBL4988177 0.83 MKNK1 (0.47) ALDH1A1LMNATSHR
SCHEMBL4992079 0.83 CYP3A4 (0.58) ALDH1A1KDM4EMAPTUSP2LMNA
SCHEMBL4983071 0.81 PKM (0.48) ALDH1A1L3MBTL1KDM4ELMNAHTT
SCHEMBL13532416 0.77 KMT2A (0.43) KMT2AALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL14272443 0.77 TSHR (0.48) KMT2AALDH1A1L3MBTL1KDM4EHTT
SCHEMBL4985357 0.77 CTSG (0.41) KMT2AALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL6449603 0.75 ALDH1A1 (0.67) KMT2AALDH1A1L3MBTL1KDM4EMAPT

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 KMT2A 4614/4885ALDH1A1 3640/4885L3MBTL1 4476/4885

“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.