SCHEMBL3056522

SCHEMBL3056522

Cc1cnccc1C(=O)N(Cc1ccccc1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATF1 P18846 1/20 0.57
NFKB1 P19838 1/20 0.57
NOS3 P29474 1/20 0.51
NOS1 P29475 1/20 0.51
NOS2 P35228 1/20 0.51
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
PDK1 Q15118 15/20 0.47
PDK2 Q15119 2/20 0.46
PDK4 Q16654 2/20 0.46
HSP90AA1 P07900 1/20 0.46
PDK3 Q15120 1/20 0.45
RAB9A P51151 1/20 0.45
TSPO P30536 1/20 0.44

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
SCHEMBL3053895 0.93 NOS3 (0.50) ATF1NFKB1NOS3NOS1NOS2
SCHEMBL3053783 0.92 GAA (0.51) ATF1NFKB1NOS3NOS1NOS2
SCHEMBL3058493 0.91 NOS3 (0.50) ATF1NFKB1NOS3NOS1NOS2
SCHEMBL3052473 0.91 NOS3 (0.61) ATF1NFKB1NOS3NOS1NOS2
SCHEMBL3060075 0.89 GAA (0.53) NOS3NOS1NOS2GAATSHR
SCHEMBL3067505 0.89 ATF1 (0.49) ATF1NFKB1NOS3NOS1NOS2
SCHEMBL3064365 0.88 NOS3 (0.54) ATF1NFKB1NOS3NOS1NOS2
SCHEMBL3052479 0.88 NOS3 (0.52) ATF1NFKB1NOS3NOS1NOS2
SCHEMBL3065409 0.87 GAA (0.63) GAATSHRPDK1PDK2PDK4
SCHEMBL3050032 0.87 NOS3 (0.55) NOS3NOS1NOS2GAATSHR

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 ATF1 3857/4885NFKB1 4187/4885NOS3 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.