SCHEMBL1402167

SCHEMBL1402167

Nc1cccc(Cc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.50
APP P05067 1/20 0.50
BRD4 O60885 1/20 0.49
KCNH2 Q12809 1/20 0.47
ASIC3 Q9UHC3 1/20 0.45
CALM1 P0DP23 1/20 0.44
LTB4R Q15722 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
TLR8 Q9NR97 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
GRM4 Q14833 1/20 0.40

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
SCHEMBL29758354 1.00 BACE1 (0.50) BACE1APPBRD4KCNH2ASIC3
SCHEMBL11330543 0.84 KCNH2 (0.62) BRD4KCNH2CALM1LTB4RL3MBTL1
SCHEMBL28043533 0.84 CYP17A1 (0.47) BACE1APPL3MBTL1NOS3NOS1
SCHEMBL28043569 0.82 HSP90AB1 (0.54) BACE1APPL3MBTL1ALDH1A1
SCHEMBL7796022 0.82 ESR1 (0.46) BACE1APPBRD4L3MBTL1ALDH1A1
SCHEMBL9395340 0.82 KCNH3 (0.47) BACE1APPL3MBTL1NOS3NOS1
SCHEMBL8989813 0.82 KCNH2 (0.73) BACE1APPKCNH2NOS3NOS1
SCHEMBL28816893 0.80 NPC1 (0.50) APPL3MBTL1NOS3NOS1TLR8
SCHEMBL28043557 0.80 CHRNA7 (0.46) ALDH1A1ADORA2A
SCHEMBL7798261 0.78 ALDH1A1 (0.53) BACE1APPALDH1A1TLR8

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 WO claimed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US claimed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 WO claimed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
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
CN-1137268-A Amidino derivatives useful as nitric oxide synthase inhibitors SEARLE & CO (US) 1996-12-04 CN disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed
EP-0724570-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 WO disclosed
WO-1995011231-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G. D. SEARLE & CO. (US) 1995-04-27 WO disclosed
WO-1994026715-A1 AMIDINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1994-11-24 WO disclosed
US-5003069-A Chichibabin reaction REILLY INDUSTRIES, INC. (US) 1991-03-26 US disclosed
US-4647569-A Antiarthritic pyridylaminoethene disulfonyl compounds and use MAY & BAKER LIMITED (GB) 1987-03-03 US disclosed
EP-0098684-A2 Modified chichibabin reaction, and novel pyridine derivatives REILLY INDUSTRIES, INC. (US) 1984-01-18 EP 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 (5 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 BACE1 1126/4885APP 3002/4885BRD4 3925/4885
US-20160122302-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 BACE1 2719/4885APP 3994/4885BRD4 3735/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA BACE1 2237/4885APP 3852/4885BRD4 2766/4885
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 BACE1 1126/4885APP 3002/4885BRD4 3925/4885
US-10759791-B2 Mammalian and bacterial nitric oxide synthase inhibitors NOS1, NOS2, NOS3 BACE1 1126/4885APP 3002/4885BRD4 3925/4885

“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.