SCHEMBL3564476

SCHEMBL3564476

COC(=O)c1ccc(Oc2ccc(Cl)cc2)nc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.46
ABL1 P00519 1/20 0.45
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42

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
SCHEMBL19808909 0.91 TUBB4A (0.51) P2RX3L3MBTL1SMN1; SMN2ALDH1A1EGLN1
SCHEMBL19808901 0.89 P2RX3 (0.48) P2RX3L3MBTL1NPC1MAPTNFKB1
SCHEMBL19808853 0.89 P2RX3 (0.48) P2RX3L3MBTL1NPC1MAPTRAB9A
SCHEMBL19808862 0.88 TDP1 (0.50) P2RX3L3MBTL1NPC1MAPTRAB9A
SCHEMBL19808896 0.86 P2RX3 (0.47) P2RX3L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL19808847 0.85 LMNA (0.55) P2RX3MAPTALDH1A1EGLN1TUBB4A
SCHEMBL19808837 0.85 P2RX3 (0.48) P2RX3L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL19994239 0.85 P2RX3 (0.45) P2RX3L3MBTL1NPC1MAPTRAB9A
SCHEMBL19808829 0.83 L3MBTL1 (0.54) P2RX3L3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL19808864 0.81 P2RX3 (0.43) P2RX3L3MBTL1NPC1MAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275881-B1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYLOXY OR HETEROOXY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF SHENYANG SUNSHINE PHARMACEUTICAL CO LTD (CN) 2021-08-04 EP disclosed
US-10100051-B2 Compound of 5-hydroxyl-1,7-naphthyridine substituted by aryloxy or heteroaryloxy, preparation method thereof and pharmaceutical use thereof SHENYANG SUNSHINE PHARMACEUTICAL CO. LTD. (CN) 2018-10-16 US disclosed
US-20180118739-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYLOXY OR HETEROARYLOXY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF SHENYANG SUNSHINE PHARMACEUTICAL CO., LTD. (CN) 2018-05-03 US disclosed
EP-3275881-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYLOXY OR HETEROOXY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF Shenyang Sunshine Pharmaceutical Co., Ltd. (CN) 2018-01-31 EP disclosed
EP-1861382-B1 FUSED AROMATIC COMPOUNDS HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
EP-1861382-B1 FUSED AROMATIC COMPOUNDS HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
US-8258161-B2 Crystalline salt form of an antidiabetic compound MERCK SHARP & DOHME CORP. (US) 2012-09-04 US disclosed
US-8258161-B2 Crystalline salt form of an antidiabetic compound MERCK SHARP & DOHME CORP. (US) 2012-09-04 US disclosed
US-8258161-B2 Crystalline salt form of an antidiabetic compound MERCK SHARP & DOHME CORP. (US) 2012-09-04 US disclosed
US-7834036-B2 Fused-aromatic compounds having anti-diabetic activity MERCK SHARP & DOHME CORP (US) 2010-11-16 US disclosed
WO-2008109334-A1 NOVEL CRYSTALLINE SALT FORM OF AN ANTIDIABETIC COMPOUND MERCK & CO., INC. (US) 2008-09-12 WO disclosed
US-20080194586-A1 Fused-Aromatic Compounds Having Anti-Diabetic Activity MERCK SHARP & DOHME LLC 2008-08-14 US disclosed
US-20080194586-A1 Fused-Aromatic Compounds Having Anti-Diabetic Activity MERCK SHARP & DOHME LLC 2008-08-14 US disclosed
US-20080194586-A1 Fused-Aromatic Compounds Having Anti-Diabetic Activity MERCK SHARP & DOHME LLC 2008-08-14 US disclosed
EP-1909789-A2 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2008-04-16 EP disclosed
EP-1861382-A1 FUSED AROMATIC COMPOUNDS HAVING ANTI-DIABETIC ACTIVITY Merck & Co., Inc. (US) 2007-12-05 EP disclosed
WO-2007103252-A2 NOVEL CRYSTALLINE FORMS OF ANTIDIABETIC COMPOUNDS MERCK & CO., INC. (US) 2007-09-13 WO disclosed
WO-2007103252-A2 NOVEL CRYSTALLINE FORMS OF ANTIDIABETIC COMPOUNDS MERCK & CO., INC. (US) 2007-09-13 WO disclosed
WO-2007018956-A2 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-02-15 WO disclosed
WO-2006096564-A1 FUSED AROMATIC COMPOUNDS HAVING ANTI-DIABETIC ACTIVITY MERCK & CO., INC. (US) 2006-09-14 WO 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 (3 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-20180118739-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYLOXY OR HETEROARYLOXY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF HIF1AN, EGLN3, EGLN2 P2RX3 1425/4885L3MBTL1 4819/4885NPC1 991/4885
US-20080194586-A1 Fused-Aromatic Compounds Having Anti-Diabetic Activity PPARG, PPARA, FABP4 P2RX3 3392/4885L3MBTL1 2202/4885NPC1 390/4885
US-10100051-B2 Compound of 5-hydroxyl-1,7-naphthyridine substituted by aryloxy or heteroaryloxy, preparation method thereof and pharmaceutical use thereof HIF1AN, EGLN3, EGLN2 P2RX3 1425/4885L3MBTL1 4819/4885NPC1 991/4885

“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.