SCHEMBL17708596

SCHEMBL17708596

Cc1cc(CCc2cccc(Br)n2)nc(-n2c(C)ccc2C)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.47
NOS2 P35228 7/20 0.47
PDE10A Q9Y233 5/20 0.34
NOS3 P29474 3/20 0.32

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
SCHEMBL2830408 0.90 NOS1 (0.57) NOS1NOS2PDE10ANOS3
SCHEMBL2836244 0.81 NOS1 (0.59) NOS1NOS2NOS3
SCHEMBL19379168 0.81 BACE1 (0.49) NOS1NOS2NOS3
SCHEMBL2839622 0.80 NOS1 (0.47) NOS1NOS2PDE10ANOS3
SCHEMBL2834751 0.79 NOS1 (0.44) NOS1NOS2NOS3
SCHEMBL17721483 0.79 NOS1 (0.52) NOS1NOS2NOS3
SCHEMBL17708636 0.79 NOS1 (0.39) NOS1NOS2NOS3
SCHEMBL7737460 0.78 NOS1 (0.49) NOS1NOS2NOS3
SCHEMBL17721486 0.78 NOS1 (0.38) NOS1NOS2NOS3
SCHEMBL8328137 0.77 NOS2 (0.51) NOS1NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200331910-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors UNIV NORTHWESTERN (US) 2020-10-22 US disclosed
US-10759791-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2020-09-01 US disclosed
US-9951014-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2018-04-24 US disclosed
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-09-28 US disclosed
EP-3215497-A2 MAMMALIAN AND BACTERIAL NITRIC OXIDE SYNTHASE INHIBITORS Northwestern University (US) 2017-09-13 EP disclosed
WO-2016073623-A2 MAMMALIAN AND BACTERIAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2016-05-12 WO disclosed
US-20160122302-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-05-05 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 (4 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-20200331910-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS2 2/4885PDE10A 311/4885
US-20160122302-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS2 2/4885PDE10A 627/4885
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS2 2/4885PDE10A 311/4885
US-10759791-B2 Mammalian and bacterial nitric oxide synthase inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS2 2/4885PDE10A 311/4885

“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.