SCHEMBL3053469

SCHEMBL3053469

Cc1cnccc1C(=O)N(Cc1cccc2ccccc12)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.56
NOS1 P29475 4/20 0.56
NOS3 P29474 2/20 0.56
PDK1 Q15118 7/20 0.47
ATF1 P18846 1/20 0.44
NFKB1 P19838 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL3064365 0.88 NOS3 (0.54) NOS2NOS1NOS3PDK1ATF1
SCHEMBL3056338 0.87 NOS3 (0.53) NOS2NOS1NOS3PDK1ATF1
SCHEMBL3050573 0.86 NOS3 (0.52) NOS2NOS1NOS3PDK1ATF1
SCHEMBL3061190 0.86 NOS2 (0.54) NOS2NOS1NOS3PDK1ATF1
SCHEMBL3054013 0.86 NOS1 (0.51) NOS2NOS1NOS3PDK1ATF1
SCHEMBL3044228 0.85 NOS3 (0.51) NOS2NOS1NOS3PDK1ATF1
SCHEMBL3058776 0.84 NOS2 (0.53) NOS2NOS1NOS3PDK1ATF1
SCHEMBL3052528 0.84 NOS1 (0.49) NOS2NOS1NOS3PDK1ATF1
SCHEMBL3043358 0.84 NOS2 (0.56) NOS2NOS1NOS3PDK1ATF1
SCHEMBL3053769 0.84 NOS3 (0.49) NOS2NOS1NOS3PDK1ATF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 NOS2 3548/4885NOS1 3682/4885NOS3 3019/4885

“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.