SCHEMBL6050198

SCHEMBL6050198

Cc1ccc(C#N)c(OC(CCN)c2ccsn2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.43
SLC6A4 P31645 8/20 0.43
CYP2D6 P10635 6/20 0.40
SLC6A2 P23975 6/20 0.40
HDAC1 Q13547 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MBOAT4 Q96T53 2/20 0.31
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL26316188 0.80 NOS2 (0.47) NOS2SLC6A4CYP2D6SLC6A2HDAC1
SCHEMBL25409866 0.79 NOS2 (0.57) NOS2SLC6A4CYP2D6SLC6A2HDAC1
SCHEMBL25411357 0.79 NOS2 (0.57) NOS2SLC6A4CYP2D6SLC6A2HDAC1
SCHEMBL6278732 0.78 HDAC1 (0.36) NOS2SLC6A4CYP2D6SLC6A2HDAC1
SCHEMBL6050132 0.77 NOS2 (0.46) NOS2SLC6A4CYP2D6SLC6A2HDAC1
SCHEMBL26316187 0.74 NOS2 (0.47) NOS2SLC6A4CYP2D6SLC6A2HDAC1
SCHEMBL6078792 0.71 NOS2 (0.46) NOS2SLC6A4CYP2D6SLC6A2HDAC1
SCHEMBL26313498 0.69 GAA (0.40) NOS2SLC6A4CYP2D6SLC6A2HDAC1
SCHEMBL1145111 0.68 LMNA (0.48) NOS2SLC6A4CYP2D6SLC6A2HDAC1
SCHEMBL26313486 0.68 NOS2 (0.46) NOS2SLC6A4CYP2D6SLC6A2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414802-B1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2006-04-26 EP claimed
JP-2005501834-A 2005-01-20 JP claimed
US-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-09-09 US claimed
EP-1414802-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003011830-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 WO claimed
EP-1414802-B1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2006-04-26 EP disclosed
US-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-09-09 US disclosed
EP-1414802-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003011830-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 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-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS1, NOS2 NOS2 3/4885SLC6A4 1799/4885CYP2D6 37/4885

“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.