SCHEMBL6338945

SCHEMBL6338945

N[C@@H]1c2cc([N+](=O)[O-])ccc2CCC[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
HSP90AA1 P07900 1/20 0.46
SLC18A3 Q16572 2/20 0.43
PDE7A Q13946 1/20 0.42
PDE7B Q9NP56 1/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
KDM4E B2RXH2 1/20 0.40
HIF1A Q16665 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
RAB9A P51151 1/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL6338942 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6339170 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6575270 0.92 HSP90AA1 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6359153 0.92 HSP90AA1 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4870044 0.92 HSP90AA1 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4873492 0.92 HSP90AA1 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL394579 0.85 MEN1 (0.54) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6478814 0.82 HSP90AA1 (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL30073945 0.82 HSP90AA1 (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2760561 0.82 CHRNB4 (0.48) MEN1KMT2ALMNAMAPTHSP90AA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908947-B2 Sulfonamide-substituted fused 7-membered ring compounds, their use as a medicament, and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-21 US disclosed
US-20020072514-A1 Sulfonamide-substituted fused 7-membered ring compounds, their use as a medicament, and pharmaceutical preparations comprising them HOECHST AKTIENGESELLSCHAFT 2002-06-13 US disclosed
US-6333349-B1 POTASSIUM CHANNEL OR THE I.SUB.KS CHANNEL OPENED BY CYCLIC ADENOSINE MONOPHOSPHATE AS POTASSIUM CHANNEL ACTIVATORS AND CARDIOVASCULAR DISORDERS, ANTIARRHYTHMIAS, FOR THE TREATMENT OF ULCERS OF THE GASTROINTESTINAL REGION OR FOR THE TREATMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-25 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-20020072514-A1 Sulfonamide-substituted fused 7-membered ring compounds, their use as a medicament, and pharmaceutical preparations comprising them KCNN3, KCNJ1, KCNJ11 MEN1 2749/4885KMT2A 2568/4885ALDH1A1 2681/4885

“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.