SCHEMBL4986180

SCHEMBL4986180

Nc1ncnc2c1CCN(S(=O)(=O)c1ccc3ccccc3c1)C2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.50
TSHR P16473 2/20 0.50
HSD11B1 P28845 1/20 0.48
PKM P14618 8/20 0.48
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
PKLR P30613 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4988452 0.85 MEN1 (0.51) PKMMEN1KMT2ASMN1; SMN2GAA
SCHEMBL4982608 0.85 SMN1; SMN2 (0.55) PKMMEN1KMT2ASMN1; SMN2HTT
SCHEMBL4980965 0.83 SMN1; SMN2 (0.49) TSHRLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4993378 0.82 KMT2A (0.49) HSD11B1PKMLMNAMEN1KMT2A
SCHEMBL4983025 0.82 MEN1 (0.53) TSHRHSD11B1PKMLMNAMEN1
SCHEMBL4988330 0.82 CD4 (0.50) HSD11B1PKMHTTGAA
SCHEMBL4988645 0.82 MAPT (0.42) TSHRPKMLMNAMEN1KMT2A
SCHEMBL4987016 0.81 PKM (0.51) TSHRHSD11B1PKMLMNASMN1; SMN2
SCHEMBL4986986 0.81 PKM (0.54) PKMLMNAMEN1KMT2APKLR
SCHEMBL4992079 0.81 CYP3A4 (0.58) TSHRHSD11B1PKMLMNASMN1; SMN2

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 2 patents. 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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 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 MCOLN3 961/4885TSHR 3850/4885HSD11B1 3494/4885

“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.