SCHEMBL4985230

SCHEMBL4985230

Nc1ncnc2c1CCN(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NOD1 Q9Y239 1/20 0.43
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
GBA1 P04062 1/20 0.41
LIPE Q05469 2/20 0.40
PRCP P42785 1/20 0.40
AKR1C3 P42330 1/20 0.40
EPHX2 P34913 2/20 0.39
SCN9A Q15858 2/20 0.39

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
SCHEMBL4989348 0.89 AKR1C3 (0.42) MEN1KMT2AAKR1C3SCN9A
SCHEMBL4982880 0.86 L3MBTL1 (0.42) KMT2AHDAC6SCN9A
SCHEMBL4987016 0.85 PKM (0.51)
SCHEMBL4987934 0.85 HSD11B1 (0.45) MEN1KMT2ANOD1HDAC3HDAC4
SCHEMBL4982847 0.85 LMNA (0.41) MEN1KMT2A
SCHEMBL4980965 0.84 SMN1; SMN2 (0.49) MEN1KMT2A
SCHEMBL4983025 0.84 MEN1 (0.53) MEN1KMT2A
SCHEMBL4983071 0.83 PKM (0.48)
SCHEMBL4985250 0.83 LMNA (0.40) KMT2A
SCHEMBL4988452 0.82 MEN1 (0.51) MEN1KMT2AAKR1C3

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 4614/4885NOD1 33/4885

“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.