SCHEMBL4982876

SCHEMBL4982876

NC(=O)c1n[c]c2c(n1)CN(S(=O)(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
AKR1C3 P42330 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
EPHX1 P07099 1/20 0.36
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.36
TP53 P04637 2/20 0.36
MDM2 Q00987 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
SCN9A Q15858 2/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL4987925 0.94 HDAC6 (0.44) HDAC6L3MBTL1AKR1C3NAMPTALDH1A1
SCHEMBL4985245 0.90 LMNA (0.38) AKR1C3NAMPTALDH1A1LMNASMN1; SMN2
SCHEMBL4980960 0.90 SMN1; SMN2 (0.46) AKR1C3ALDH1A1LMNASMN1; SMN2MMP2
SCHEMBL4983067 0.88 PKM (0.43) L3MBTL1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL4985224 0.88 AKR1C3 (0.42) HDAC6AKR1C3EPHX1EPHX2SCN9A
SCHEMBL4987011 0.85 PKM (0.46) L3MBTL1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL4980434 0.85 MMP1 (0.41) L3MBTL1NAMPTALDH1A1LMNASMN1; SMN2
SCHEMBL4987057 0.84 LMNA (0.44) L3MBTL1AKR1C3LMNASMN1; SMN2GAA
SCHEMBL4982841 0.84 LMNA (0.39) L3MBTL1AKR1C3ALDH1A1LMNASMN1; SMN2
SCHEMBL4983020 0.83 MEN1 (0.47) L3MBTL1AKR1C3ALDH1A1GAA

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 HDAC6 2582/4885L3MBTL1 4476/4885AKR1C3 1419/4885

“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.