SCHEMBL4264835

SCHEMBL4264835

Cc1ccc(N2CC[N]C(c3noc4c3CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC4)C2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 1/20 0.36
USP2 O75604 1/20 0.35
ALDH3A1 P30838 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 2/20 0.34
ATM Q13315 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CNR1 P21554 1/20 0.33
GAA P10253 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL2586737 0.79 TP53 (0.55) LMNAMAPTTP53
SCHEMBL4264818 0.70 ALDH1A1 (0.48) HTTTSHRNPSR1PKMALDH1A1
SCHEMBL5531260 0.68 ALDH1A1 (0.45) HTTTSHRNPSR1PKMALDH1A1
SCHEMBL2586645 0.66 TP53 (0.52) HTTPKMALDH1A1L3MBTL1MEN1
SCHEMBL2584833 0.62 NPC1 (0.44) HTTALDH1A1ALOX15MEN1KMT2A
SCHEMBL2587258 0.61 KMT2A (0.44) HTTTSHRNPSR1ALDH1A1MEN1
SCHEMBL2588879 0.60 HSP90AA1 (0.42) HTTTSHRNPSR1ALDH1A1L3MBTL1
SCHEMBL3137404 0.59 HTR6 (0.56) HTTTSHRNPSR1ALDH1A1L3MBTL1
SCHEMBL6449319 0.59 L3MBTL1 (0.64) HTTTSHRPKMALDH1A1L3MBTL1
SCHEMBL197131 0.58 ALDH1A1 (1.00) HTTTSHRNPSR1PKMALDH1A1

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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 US disclosed

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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 HTT 3668/4885TSHR 3849/4885NPSR1 1510/4885

“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.