SCHEMBL5650211

SCHEMBL5650211

N#Cc1cc(F)c(Cl)cc1OC(CN=C(N)CO)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 14/20 0.67
SLC6A4 P31645 13/20 0.67
CYP2D6 P10635 11/20 0.67
SLC6A2 P23975 11/20 0.67
KCNH2 Q12809 3/20 0.42
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL5651912 0.89 NOS2 (0.68) NOS2SLC6A4CYP2D6SLC6A2KCNH2
Hydrochloric Acid SCHEMBL5653710 0.88 NOS2 (0.67) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL5652047 0.81 NOS2 (0.84) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL28116844 0.80 SLC6A4 (1.00) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL231999 0.80 SLC6A4 (1.00) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6488890 0.78 NOS2 (0.82) NOS2SLC6A4CYP2D6SLC6A2KCNH2
Oxalic Acid SCHEMBL6491911 0.78 NOS2 (1.00) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL5650207 0.78 NOS2 (0.64) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6489816 0.77 NOS2 (0.80) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6491604 0.76 SLC6A4 (0.74) NOS2SLC6A4CYP2D6SLC6A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223794-B2 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2007-05-29 US claimed
EP-1572068-A2 ARYLHETEROALKALYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2005-09-14 EP claimed
US-20050143379-A1 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2005-06-30 US claimed
WO-2003011210-A2 ARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 WO claimed
US-7223794-B2 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2007-05-29 US disclosed
US-20050143379-A1 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2005-06-30 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-20050143379-A1 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase CYP1A1, NOS3, NOS1 NOS2 5/4885SLC6A4 1486/4885CYP2D6 39/4885

“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.