SCHEMBL6499305

SCHEMBL6499305

CN(CCC(Oc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.52
NOS2 P35228 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL27497725 0.81 NOS2 (0.53) SLC6A9NOS2MEN1KMT2AALDH1A1
SCHEMBL6504145 0.81 NOS2 (0.69) NOS2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6501942 0.80 NOS2 (0.67) NOS2MEN1KMT2ALMNA
SCHEMBL6499310 0.79 NOS2 (0.48) SLC6A9NOS2MEN1KMT2AALDH1A1
SCHEMBL20917087 0.76 FFAR1 (0.51) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7429997 0.74 CYP2D6 (0.57) SLC6A9KMT2AALDH1A1LMNAMAPT
SCHEMBL5280197 0.74 CYP2D6 (0.57) SLC6A9KMT2AALDH1A1LMNAMAPT
Oxalic Acid SCHEMBL11350914 0.73 SLC6A4 (0.57) SLC6A9
SCHEMBL21051927 0.73 SLC6A9 (0.51) SLC6A9ALDH1A1MAPT
SCHEMBL11357415 0.72 CHRNB2 (0.57) SLC6A9SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1235870-C Novel use of phenyl hetero alkylamine derivatives ASTRAZENECA AB (SE) 2006-01-11 CN disclosed
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 US disclosed
CN-1411435-A Novel use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-16 CN disclosed
EP-1263711-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062704-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 SLC6A9 3751/4885NOS2 3/4885MEN1 4489/4885

“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.