SCHEMBL3058307

SCHEMBL3058307

Cc1cnccc1C(=O)N(Cc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.53
NOS1 P29475 2/20 0.53
NOS2 P35228 2/20 0.53
PDK1 Q15118 17/20 0.48
PDK2 Q15119 2/20 0.48
PDK3 Q15120 2/20 0.48
PDK4 Q16654 2/20 0.48
NR1H4 Q96RI1 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
SCHEMBL3054364 0.92 RAB9A (0.47) NOS3NOS1NOS2PDK1PDK2
SCHEMBL3061886 0.91 PDK1 (0.50) NOS3NOS1NOS2PDK1PDK2
SCHEMBL3050032 0.88 NOS3 (0.55) NOS3NOS1NOS2PDK1PDK2
SCHEMBL3052473 0.87 NOS3 (0.61) NOS3NOS1NOS2PDK1PDK2
SCHEMBL3043499 0.85 NOS3 (0.49) NOS3NOS1NOS2PDK1PDK2
SCHEMBL3067697 0.84 NOS3 (0.54) NOS3NOS1NOS2PDK1
SCHEMBL3062256 0.83 NOS3 (0.50) NOS3NOS1NOS2PDK1
SCHEMBL3058741 0.83 NOS3 (0.48) NOS3NOS1NOS2PDK1PDK2
SCHEMBL3061956 0.83 NOS3 (0.50) NOS3NOS1NOS2PDK1
SCHEMBL3060075 0.81 GAA (0.53) NOS3NOS1NOS2PDK1PDK2

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 NOS3 3019/4885NOS1 3682/4885NOS2 3548/4885

“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.