SCHEMBL4982608

SCHEMBL4982608

Nc1ncnc2c1CCN(S(=O)(=O)c1ccc3oc(=O)ccc3c1)C2

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 1/20 0.49
PKM P14618 10/20 0.44
KMT2A Q03164 5/20 0.44
CYP19A1 P11511 1/20 0.37
MEN1 O00255 4/20 0.36
AKR1C3 P42330 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
SCHEMBL4986180 0.85 MCOLN3 (0.50) SMN1; SMN2HTTPKMKMT2AMEN1
SCHEMBL4986986 0.78 PKM (0.54) HTTPKMKMT2AMEN1
SCHEMBL4988452 0.78 MEN1 (0.51) SMN1; SMN2PKMKMT2AMEN1AKR1C3
SCHEMBL13532338 0.77 SMN1; SMN2 (0.43) SMN1; SMN2HTTPKMKMT2ACYP19A1
SCHEMBL14272392 0.77 TSHR (0.47) SMN1; SMN2HTTPKMKMT2AMEN1
SCHEMBL4983025 0.77 MEN1 (0.53) HTTPKMKMT2AMEN1
SCHEMBL4988330 0.77 CD4 (0.50) HTTPKM
SCHEMBL4993378 0.77 KMT2A (0.49) SMN1; SMN2HTTPKMKMT2AMEN1
SCHEMBL4988645 0.77 MAPT (0.42) SMN1; SMN2HTTPKMKMT2AMEN1
SCHEMBL4992079 0.76 CYP3A4 (0.58) SMN1; SMN2HTTPKMAKR1C3

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 SMN1; SMN2 4369/4885HTT 4422/4885PKM 1098/4885

“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.