SCHEMBL4989418

SCHEMBL4989418

NC(=O)c1n[c]c2c(n1)CN(S(=O)(=O)c1ccc(Oc3ccccn3)cc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
LTA4H P09960 1/20 0.36
PTGS2 P35354 1/20 0.36
ADAMTS4 O75173 1/20 0.36
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 2/20 0.34
AKR1C3 P42330 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
GBA1 P04062 1/20 0.34
SCN7A Q01118 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4980960 0.89 SMN1; SMN2 (0.46) KMT2AMMP1MMP13MMP2MMP9
SCHEMBL4985245 0.87 LMNA (0.38) KMT2AMMP1MMP13MMP2MMP9
SCHEMBL4983067 0.85 PKM (0.43) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL4987011 0.84 PKM (0.46) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL4980434 0.84 MMP1 (0.41) MEN1KMT2AMMP1MMP13MMP2
SCHEMBL4988448 0.84 MEN1 (0.45) MEN1KMT2AALDH1A1GAAAKR1C3
SCHEMBL4982876 0.83 HDAC6 (0.40) MMP13MMP2MMP9LMNASMN1; SMN2
SCHEMBL4985224 0.81 AKR1C3 (0.42) MEN1KMT2AAKR1C3GBA1
SCHEMBL4982841 0.81 LMNA (0.39) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL4987187 0.81 ALDH1A1 (0.46) MEN1KMT2ALMNASMN1; SMN2ALDH1A1

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 MEN1 4853/4885KMT2A 4614/4885MMP1 1115/4885

“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.