SCHEMBL481195

SCHEMBL481195

CN(C)C(=O)C=Cc1cccc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.67
▸ SLC6A19 Q695T7 1/20 0.57
▸ BACE1 P56817 1/20 0.54
▸ MAOB P27338 3/20 0.54
▸ MAOA P21397 2/20 0.54
▸ CYP2D6 P10635 1/20 0.52
▸ CYP1B1 Q16678 1/20 0.52
▸ PKM P14618 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ ATM Q13315 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ ALPG P10696 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TLR9 Q9NR96 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL16899699 1.00 HSD17B3 (0.67) HSD17B3SLC6A19BACE1MAOBMAOA
SCHEMBL17157868 0.87 HSD17B3 (0.63) HSD17B3SLC6A19BACE1MAOBMAOA
SCHEMBL17157870 0.87 HSD17B3 (0.63) HSD17B3SLC6A19BACE1MAOBMAOA
SCHEMBL28377653 0.81 MAOA (0.55) MAOBMAOAALDH1A1MAPTNPSR1
SCHEMBL1105481 0.81 HSD17B3 (0.73) HSD17B3SLC6A19BACE1MAOBMAOA
SCHEMBL29247898 0.81 HSD17B3 (0.73) HSD17B3SLC6A19BACE1MAOBMAOA
SCHEMBL30963011 0.81 HSD17B3 (0.73) HSD17B3SLC6A19BACE1MAOBMAOA
SCHEMBL1035544 0.80 HSD17B3 (0.79) HSD17B3SLC6A19BACE1MAOBMAOA
SCHEMBL1035543 0.80 HSD17B3 (0.79) HSD17B3SLC6A19BACE1MAOBMAOA
SCHEMBL5479748 0.80 NPSR1 (0.65) HSD17B3MAOBMAOAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884047-B Intermediates for the synthesis of aryl or heteroaryl substituted 5-hydroxy-1, 7-naphthyridine compounds and methods for their preparation 沈阳三生制药有限责任公司 2022-03-08 — — CN disclosed
CN-111018735-B Preparation method of cinnamamide compound 河南农业大学 2021-09-07 — — CN disclosed
EP-3287456-B1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYL OR HETEROARYL, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF SHENYANG SUNSHINE PHARMACEUTICAL CO LTD (CN) 2020-08-26 — — EP disclosed
CN-111018735-A Preparation method of cinnamamide 河南农业大学 2020-04-17 — — CN disclosed
US-9994566-B2 Compound of 5-hydroxyl-1,7-naphthyridine substituted by aryl or heteroaryl, preparation method thereof and pharmaceutical use thereof SHENYANG SUNSHINE PHARMACEUTICAL CO. LTD. (CN) 2018-06-12 — — US disclosed
US-20180118738-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYL OR HETEROARYL, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF SHENYANG SUNSHINE PHARMACEUTICAL CO., LTD. (CN) 2018-05-03 — — US disclosed
EP-3287456-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYL OR HETEROARYL, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF Shenyang Sunshine Pharmaceutical Co., Ltd. (CN) 2018-02-28 — — EP disclosed
EP-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 — — EP disclosed
EP-1817301-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2012-02-01 — — EP disclosed
US-7858646-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-12-28 — — US disclosed
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane ARRAY BIOPHARMA, INC. 2008-04-24 — — US disclosed
CN-101061105-A Potentiators of glutamate receptors LILLY CO ELI (US) 2007-10-24 — — CN disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 — — US disclosed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 — — US disclosed
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 — — EP disclosed
EP-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 — — EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 — — US disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 — — US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 — — US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 — — 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 (6 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-20180118738-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYL OR HETEROARYL, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF HIF1AN, EGLN3, EGLN2 HSD17B3 114/4885SLC6A19 2516/4885BACE1 1686/4885
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same TYMP, DPYD, TYMS HSD17B3 4167/4885SLC6A19 3226/4885BACE1 3903/4885
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 HSD17B3 320/4885SLC6A19 4081/4885BACE1 114/4885
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane HTR7, UGT2B7, HK1 HSD17B3 3374/4885SLC6A19 2213/4885BACE1 4188/4885
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 HSD17B3 761/4885SLC6A19 2682/4885BACE1 103/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS HSD17B3 2782/4885SLC6A19 3551/4885BACE1 4326/4885

“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.

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