SCHEMBL3043358

SCHEMBL3043358

Cc1cc2c(CN(C(=O)c3ccncc3C)c3cc(Cl)cc(Cl)c3)cccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.56
NOS1 P29475 6/20 0.56
NOS3 P29474 4/20 0.56
ATF1 P18846 1/20 0.38
NFKB1 P19838 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PDK1 Q15118 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FNTA P49354 1/20 0.35

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
SCHEMBL3064877 0.93 NOS2 (0.53) NOS2NOS1NOS3TP53RXFP1
SCHEMBL3058776 0.87 NOS2 (0.53) NOS2NOS1NOS3ATF1NFKB1
SCHEMBL3061243 0.86 NOS2 (0.49) NOS2NOS1NOS3GPBAR1TP53
SCHEMBL3053563 0.84 NOS3 (0.46) NOS2NOS1NOS3PDK1KDM4E
SCHEMBL3053469 0.84 NOS2 (0.56) NOS2NOS1NOS3ATF1NFKB1
SCHEMBL3062420 0.84 NOS2 (0.66) NOS2NOS1NOS3KDM4EMEN1
SCHEMBL3058609 0.84 NOS1 (0.51) NOS2NOS1NOS3GPBAR1KDM4E
SCHEMBL3061190 0.83 NOS2 (0.54) NOS2NOS1NOS3ATF1NFKB1
SCHEMBL3053787 0.83 NOS2 (0.48) NOS2NOS1NOS3GPBAR1TP53
SCHEMBL3064365 0.83 NOS3 (0.54) NOS2NOS1NOS3ATF1NFKB1

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.