Sugi Predict

Sugi Predict / Compounds / SCHEMBL3055076

SCHEMBL3055076

SCHEMBL3055076

COc1ccc(N2CCCCC2)c2sc(N)nc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ ADORA2A P29274 14/20 0.53
▸ ADORA1 P30542 9/20 0.53
▸ CYP3A4 P08684 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ADORA2B P29275 3/20 0.42
▸ ADORA3 P0DMS8 2/20 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
SCHEMBL3052496 0.88 ALDH1A1 (0.47) ALDH1A1TP53HPGDTSHRSMN1; SMN2
SCHEMBL3057234 0.88 ALDH1A1 (0.46) ALDH1A1TP53HPGDTSHRSMN1; SMN2
SCHEMBL2824784 0.87 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3057681 0.87 HTR3E (0.47) ALDH1A1TP53HPGDTSHRSMN1; SMN2
SCHEMBL3052217 0.85 ADORA2A (0.56) ALDH1A1TP53HPGDTSHRSMN1; SMN2
SCHEMBL5943371 0.83 ADORA2A (0.53) TP53ADORA2AADORA1ADORA2BADORA3
SCHEMBL5493038 0.82 ADORA2A (0.57) ALDH1A1TP53HPGDTSHRSMN1; SMN2
SCHEMBL5502279 0.80 ALDH1A1 (0.50) ALDH1A1HPGDTSHRSMN1; SMN2TDP1
SCHEMBL5713547 0.79 TP53 (0.41) ALDH1A1TP53HPGDTSHRSMN1; SMN2
SCHEMBL3051990 0.79 SMN1; SMN2 (0.58) ALDH1A1TP53HPGDTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455792-B1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS HOFFMANN LA ROCHE (CH) 2007-04-18 — — EP claimed
US-7019001-B2 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. (US) 2006-03-28 — — US claimed
US-20040229893-A1 Substituted benzothiazole amide derivatives FLOHR ALEXANDER (CH) 2004-11-18 — — US claimed
US-20030149036-A1 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. 2003-08-07 — — US claimed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 — — US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 — — US disclosed
EP-2398794-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 — — EP disclosed
EP-2398794-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-12-28 — — EP disclosed
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 — — WO disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 — — US disclosed
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2010-03-25 — — US disclosed
US-20030134854-A1 Isonicotin- and nicotinamide derivatives of benzothiazoles F.HOFFMANN-LA ROCHE AG (CH) 2003-07-17 — — US disclosed
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-07-03 — — US disclosed
WO-2003049741-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-19 — — WO disclosed
WO-2003043636-A1 NICOTIN-OR ISONICOTIN BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-30 — — WO 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 (8 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-20030149036-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B ALDH1A1 512/4885TP53 3831/4885HPGD 755/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885TP53 3005/4885HPGD 2398/4885
US-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TP53 391/4885HPGD 1775/4885
US-20030134854-A1 Isonicotin- and nicotinamide derivatives of benzothiazoles ADORA1, ADORA2A, ADORA3 ALDH1A1 87/4885TP53 3433/4885HPGD 641/4885
US-20040229893-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B ALDH1A1 512/4885TP53 3831/4885HPGD 755/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ALDH1A1 473/4885TP53 2921/4885HPGD 2488/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885TP53 3005/4885HPGD 2398/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TP53 391/4885HPGD 1775/4885

“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.