SCHEMBL17708641

SCHEMBL17708641

Cc1cc(CCc2cc(C#N)cc(NCCc3ccccn3)c2)nc(-n2c(C)ccc2C)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.40
NOS3 P29474 1/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
NOS2 P35228 4/20 0.37
EGLN1 Q9GZT9 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
F2 P00734 1/20 0.35
GRM5 P41594 1/20 0.35
PGK1 P00558 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
SCHEMBL17708587 0.85 NOS1 (0.57) NOS1NOS3NOS2
SCHEMBL17708554 0.84 NOS2 (0.51) NOS1NOS3NOS2
SCHEMBL22566645 0.81 NOS2 (0.42) NOS1NOS3ALDH1A1KDM4ENOS2
SCHEMBL17708640 0.80 NOS2 (0.50) NOS1NOS3NOS2
SCHEMBL14701554 0.80 NOS1 (0.51) NOS1NOS3ALDH1A1KDM4ENOS2
SCHEMBL22566658 0.76 LMNA (0.36) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL17708617 0.75 NOS1 (0.44) NOS1NOS3ALDH1A1KDM4ENOS2
SCHEMBL17708666 0.75 NOS1 (0.46) NOS1NOS3ALDH1A1KDM4ENOS2
SCHEMBL17708654 0.72 NOS2 (0.71) NOS1NOS3NOS2
SCHEMBL17708541 0.70 NOS2 (0.72) NOS1NOS3NOS2

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 NOS1 1/4885NOS3 3/4885ALDH1A1 943/4885
US-20160122302-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS3 3/4885ALDH1A1 1218/4885
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS3 3/4885ALDH1A1 943/4885
US-10759791-B2 Mammalian and bacterial nitric oxide synthase inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS3 3/4885ALDH1A1 943/4885

“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.