SCHEMBL4987934

SCHEMBL4987934

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
HDAC6 Q9UBN7 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SCN9A Q15858 4/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
NOD1 Q9Y239 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
CCR6 P51684 1/20 0.39
GAA P10253 1/20 0.39
GBA1 P04062 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 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
SCHEMBL4982880 0.94 L3MBTL1 (0.42) HSD11B1HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL4987060 0.88 HTT (0.48) HSD11B1KDM4EL3MBTL1SCN9AGAA
SCHEMBL4983025 0.87 MEN1 (0.53) HSD11B1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4985230 0.85 MEN1 (0.43) HDAC6SCN9ANOD1MEN1KMT2A
SCHEMBL4988452 0.85 MEN1 (0.51) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL4993378 0.84 KMT2A (0.49) HSD11B1L3MBTL1MEN1KMT2A
SCHEMBL4988330 0.84 CD4 (0.50) HSD11B1ALDH1A1GAAGBA1
SCHEMBL4986769 0.83 SCN9A (0.40) HSD11B1SCN9ATRPV1
SCHEMBL4988605 0.83 ALDH1A1 (0.55) HSD11B1ALDH1A1KDM4EL3MBTL1SCN9A
SCHEMBL4987016 0.81 PKM (0.51) HSD11B1ALDH1A1KDM4EL3MBTL1

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 HSD11B1 3494/4885HDAC6 2582/4885ALDH1A1 3640/4885

“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.