SCHEMBL3049831

SCHEMBL3049831

O=C(Nc1nc2ccccc2s1)c1ccco1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 18/20 0.77
▸ NPC1 O15118 16/20 0.77
▸ SMN1; SMN2 Q16637 8/20 0.77
▸ MAPT P10636 3/20 0.77
▸ ALDH1A1 P00352 3/20 0.77
▸ LMNA P02545 1/20 0.77
▸ NPSR1 Q6W5P4 1/20 0.77
▸ KMT2A Q03164 4/20 0.71
▸ MEN1 O00255 3/20 0.71
▸ KDM4E B2RXH2 3/20 0.71
▸ NFKB1 P19838 1/20 0.71
▸ CASP3 P42574 1/20 0.71
▸ NFKB2 Q00653 1/20 0.71
▸ RELA Q04206 1/20 0.71
▸ SENP8 Q96LD8 1/20 0.71
▸ SENP7 Q9BQF6 1/20 0.71
▸ SENP6 Q9GZR1 1/20 0.71
▸ TSHR P16473 2/20 0.70
▸ PSMD14 O00487 1/20 0.70
▸ PPARG P37231 1/20 0.70

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
SCHEMBL16334021 0.84 RAB9A (0.87) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2244452 0.83 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL24729213 0.82 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL14330905 0.80 RAB9A (0.83) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4909166 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3407604 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL6227373 0.80 RAB9A (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6227929 0.79 NPC1 (0.74) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL19270403 0.79 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL28462117 0.79 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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
EP-1680431-A1 BENZOTHIAZOLE AND THIAZOLE'5,5-B!PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-07-19 — — EP claimed
US-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-06-16 — — US claimed
WO-2005037845-A1 BENZOTHIAZOLE AND THIAZOLE[5,5-B] PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-04-28 — — WO claimed
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2010-03-25 — — US disclosed
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2008-05-29 — — US disclosed
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2008-05-08 — — US disclosed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 — — US disclosed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 — — US disclosed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 — — US disclosed
US-7317007-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2008-01-08 — — US disclosed
EP-1797878-A2 Benzothiazole derivatives F. Hoffmann-La Roche AG (CH) 2007-06-20 — — EP disclosed
US-6835732-B2 Modulation of the adenosine A2A receptor; cardioprotective agents; antiischemic agents; antihypoxia agents; central nervous system disorders, Alzheimer's disease, Parkinson's disease, anxiolytic agents; antidepressants; analgesics HOFFMAN-LA ROCHE INC. 2004-12-28 — — US disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 — — US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 — — WO disclosed
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-09-18 — — US disclosed
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-07-03 — — US disclosed
EP-1303272-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 — — EP disclosed
US-6521754-B2 Such as N-4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-2-methyl-isoni cotinamide HOFFMAN-LA ROCHE INC. 2003-02-18 — — US disclosed
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 — — US disclosed
WO-2001097786-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-27 — — 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 (9 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 RAB9A 2138/4885NPC1 6/4885SMN1; SMN2 4558/4885
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 RAB9A 3119/4885NPC1 1587/4885SMN1; SMN2 3173/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 RAB9A 3104/4885NPC1 1559/4885SMN1; SMN2 3476/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 RAB9A 3119/4885NPC1 1587/4885SMN1; SMN2 3173/4885
US-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors UBQLN1, UBE2T, NEDD4 RAB9A 3792/4885NPC1 1713/4885SMN1; SMN2 3684/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 RAB9A 3119/4885NPC1 1587/4885SMN1; SMN2 3173/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 RAB9A 3771/4885NPC1 3462/4885SMN1; SMN2 4114/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 RAB9A 3104/4885NPC1 1559/4885SMN1; SMN2 3476/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 RAB9A 3119/4885NPC1 1587/4885SMN1; SMN2 3173/4885

“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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