SCHEMBL17708554

SCHEMBL17708554

Cc1cc(CCc2cc(C#N)cc(NCCc3cccc(F)c3)c2)nc(-n2c(C)ccc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.51
NOS1 P29475 6/20 0.40
NOS3 P29474 3/20 0.40
TAAR1 Q96RJ0 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
SCHEMBL17708640 0.93 NOS2 (0.50) NOS2NOS1NOS3
SCHEMBL17708665 0.85 NOS2 (0.68) NOS2NOS1NOS3
SCHEMBL22566645 0.84 NOS2 (0.42) NOS2NOS1NOS3
SCHEMBL17708641 0.84 NOS1 (0.40) NOS2NOS1NOS3
SCHEMBL17708626 0.82 NOS2 (0.75) NOS2NOS1NOS3TAAR1
SCHEMBL17708659 0.82 NOS2 (0.61) NOS2NOS1NOS3
SCHEMBL17708666 0.81 NOS1 (0.46) NOS2NOS1NOS3
SCHEMBL14701554 0.80 NOS1 (0.51) NOS2NOS1NOS3
SCHEMBL17708614 0.78 NOS2 (0.68) NOS2NOS1NOS3
SCHEMBL17708617 0.75 NOS1 (0.44) NOS2NOS1NOS3

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 12 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-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-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
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
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
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 NOS2 2/4885NOS1 1/4885NOS3 3/4885
US-20160122302-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 NOS2 2/4885NOS1 1/4885NOS3 3/4885
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 NOS2 2/4885NOS1 1/4885NOS3 3/4885
US-10759791-B2 Mammalian and bacterial nitric oxide synthase inhibitors NOS1, NOS2, NOS3 NOS2 2/4885NOS1 1/4885NOS3 3/4885

“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.