SCHEMBL3065407

SCHEMBL3065407

Cc1cnccc1C(=O)N(Cc1ccc(Cl)cc1Cl)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.54
NOS1 P29475 2/20 0.54
NOS2 P35228 2/20 0.54
CYP3A4 P08684 1/20 0.45
TSHR P16473 2/20 0.45
PDK1 Q15118 9/20 0.44
TP53 P04637 2/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41

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
SCHEMBL3065345 0.89 NOS3 (0.51) NOS3NOS1NOS2TSHRPDK1
SCHEMBL3057449 0.85 GAA (0.53) NOS3NOS1NOS2TSHRPDK1
SCHEMBL3050032 0.83 NOS3 (0.55) NOS3NOS1NOS2TSHRPDK1
SCHEMBL3053783 0.83 GAA (0.51) NOS3NOS1NOS2TSHRPDK1
SCHEMBL3060075 0.83 GAA (0.53) NOS3NOS1NOS2TSHRPDK1
SCHEMBL3052473 0.82 NOS3 (0.61) NOS3NOS1NOS2TSHRPDK1
SCHEMBL3048615 0.82 NOS3 (0.48) NOS3NOS1NOS2TSHRPDK1
SCHEMBL3050876 0.81 PDK1 (0.46) NOS3NOS1NOS2CYP3A4TSHR
SCHEMBL3065409 0.81 GAA (0.63) TSHRPDK1GAAHTT
SCHEMBL3061956 0.80 NOS3 (0.50) NOS3NOS1NOS2PDK1GAA

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 3 patents. 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
EP-2001851-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREAMENT OF G PROTEIN RELATED DISEASES Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 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-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.