SCHEMBL1594633

SCHEMBL1594633

CCN(CC)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
PKM P14618 3/20 0.50
POLB P06746 3/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
HDAC1 Q13547 1/20 0.50
HCAR3 P49019 2/20 0.48
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KAT2B Q92831 2/20 0.46

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
SCHEMBL1594797 0.86 ALDH1A1 (0.72) MAPTKDM4EALDH1A1NPSR1SMN1; SMN2
SCHEMBL9650155 0.85 CHEK1 (0.50) MAPTKDM4EALDH1A1HDAC1TSHR
SCHEMBL14933944 0.85 ALDH1A1 (0.53) MAPTKDM4EALDH1A1NPSR1SMN1; SMN2
SCHEMBL1595017 0.85 MAPT (0.48) MAPTKDM4EALDH1A1NPSR1LMNA
SCHEMBL3858593 0.85 MEN1 (0.52) MAPTALDH1A1NPSR1SMN1; SMN2LMNA
SCHEMBL11316660 0.85 ALDH1A1 (0.53) MAPTALDH1A1NPSR1SMN1; SMN2LMNA
SCHEMBL14063303 0.84 HCAR3 (0.65) MAPTKDM4EALDH1A1NPSR1SMN1; SMN2
SCHEMBL8107611 0.83 MAPT (0.60) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL9760920 0.83 LMNA (0.55) MAPTALDH1A1NPSR1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL9652307 0.83 CHEK1 (0.48) MAPTKDM4EALDH1A1HDAC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919510-B2 treatment or prevention of chronic pain, acute pain, migraine, and neuropathic pain; selectively inhibits neuronal nitric oxide synthase (nNOS) over endothelial nitric oxide synthase (eNOS) and/or inducible nitric oxide synthase (iNOS) NEURAXON, INC (CA) 2011-04-05 US disclosed
EP-1888568-A4 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY NEURAXON INC (CA) 2009-08-12 EP disclosed
US-20080214613-A1 Substituted benzimidazole compounds with dual NOS inhibitory activity and mu opioid agonist activity NEURAXON, INC (CA) 2008-09-04 US disclosed
EP-1888568-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY Neuraxon Inc. (CA) 2008-02-20 EP disclosed
WO-2007017764-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY NEURAXON, INC. (CA) 2007-02-15 WO 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-20080214613-A1 Substituted benzimidazole compounds with dual NOS inhibitory activity and mu opioid agonist activity OPRM1, NOS1, OPRK1 MAPT 2356/4885KDM4E 1942/4885ALDH1A1 1605/4885

“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.