Sugi Predict

Sugi Predict / Compounds / SCHEMBL614654

SCHEMBL614654

SCHEMBL614654

O=C(N[C@H]1Cc2ccc(Br)cc2C1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ ACHE P22303 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ TSHR P16473 1/20 0.52
▸ EPHX1 P07099 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.48
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7967064 1.00 CA1 (0.56) CA1CA2ACHEALDH1A1GAA
SCHEMBL614655 1.00 CA1 (0.56) CA1CA2ACHEALDH1A1GAA
SCHEMBL30061424 0.91 CA1 (0.61) CA1CA2ACHEALDH1A1GAA
SCHEMBL30968514 0.91 CA1 (0.61) CA1CA2ACHEALDH1A1GAA
SCHEMBL30059982 0.91 CA1 (0.61) CA1CA2ACHEALDH1A1GAA
SCHEMBL23938186 0.91 CA1 (0.61) CA1CA2ACHEALDH1A1GAA
SCHEMBL17549529 0.91 CA1 (0.61) CA1CA2ACHEALDH1A1GAA
SCHEMBL28576386 0.91 CA1 (0.61) CA1CA2ACHEALDH1A1GAA
SCHEMBL170233 0.87 ALDH1A1 (0.65) CA1CA2ACHEALDH1A1GAA
SCHEMBL12633937 0.85 CA1 (0.56) CA1CA2ACHEALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254876-A1 COMPOUND (R) -N*6*-ETHYL-6, 7-DIHYDRO-5H-INDENO (5, 6- D) THIAZOLE-2, 6-DIAMINE AND THE USE AS ANTIPSYCHOTICS AstraZeneca AB (SE) 2010-12-01 — — EP claimed
WO-2009105026-A1 COMPOUND (R) -N*6*-ETHYL-6, 7-DIHYDRO-5H-INDENO (5, 6- D) THIAZOLE-2, 6-DIAMINE AND THE USE AS ANTIPSYCHOTICS ASTRAZENECA AB (SE) 2009-08-27 — — WO claimed
US-20090215841-A1 D2 Receptor Ligand-078 ASTRAZENECA AB (SE) 2009-08-27 — — US claimed
EP-2297110-B1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS MERCK SHARP & DOHME (NL) 2015-05-20 — — EP disclosed
US-8633237-B2 Indane derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-21 — — US disclosed
US-8536214-B2 Indane derivatives as AMPA receptor modulators N.V. ORGANON (NL) 2013-09-17 — — US disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 — — US disclosed
US-20120041041-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG 2012-02-16 — — US disclosed
US-8076489-B2 3H-benzothiazol-2-one derivatives, for example, (R)-7-[2-(1,1-dimethyl-2-phenyl-ethylamino)-1-hydroxy-ethyl]-5-hydroxy-3H-benzothiazol-2-one; useful for treating conditions that are prevented or alleviated by activation of the beta 2-adrenoreceptor NOVARTIS AG (CH) 2011-12-13 — — US disclosed
EP-1819686-B1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2011-08-17 — — EP disclosed
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS N.V. ORGANON (NL) 2011-04-21 — — US disclosed
WO-2010115952-A1 INDANE DERIVATIVES N.V. ORGANON (NL) 2010-10-14 — — WO disclosed
WO-2009105026-A1 COMPOUND (R) -N*6*-ETHYL-6, 7-DIHYDRO-5H-INDENO (5, 6- D) THIAZOLE-2, 6-DIAMINE AND THE USE AS ANTIPSYCHOTICS ASTRAZENECA AB (SE) 2009-08-27 — — WO disclosed
WO-2009105026-A1 COMPOUND (R) -N*6*-ETHYL-6, 7-DIHYDRO-5H-INDENO (5, 6- D) THIAZOLE-2, 6-DIAMINE AND THE USE AS ANTIPSYCHOTICS ASTRAZENECA AB (SE) 2009-08-27 — — WO disclosed
US-20090215841-A1 D2 Receptor Ligand-078 ASTRAZENECA AB (SE) 2009-08-27 — — US disclosed
US-20090215841-A1 D2 Receptor Ligand-078 ASTRAZENECA AB (SE) 2009-08-27 — — US disclosed
US-20090215841-A1 D2 Receptor Ligand-078 ASTRAZENECA AB (SE) 2009-08-27 — — US disclosed
US-20080096940-A1 5-Hydroxy-Benzothiazole Derivatives Having Beta-2-Adrenoreceptor Agonist Activity NOVARTIS AG (CH) 2008-04-24 — — US disclosed
EP-1819686-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY Novartis AG (CH) 2007-08-22 — — EP disclosed
WO-2006056471-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-01 — — 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 (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-20090215841-A1 D2 Receptor Ligand-078 TACR2, TACR1, GPR174 CA1 2762/4885CA2 2828/4885ACHE 2228/4885
US-20120041041-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2C CA1 3843/4885CA2 998/4885ACHE 805/4885
US-20080096940-A1 5-Hydroxy-Benzothiazole Derivatives Having Beta-2-Adrenoreceptor Agonist Activity ADRB2, ADRB1, ADRA2C CA1 3843/4885CA2 998/4885ACHE 805/4885
US-20120202781-A1 INDANE DERIVATIVES CHRNA5, CHRNA2, GRIK5 CA1 924/4885CA2 1577/4885ACHE 78/4885
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS GRIK5, GRIN3A, GRIK2 CA1 982/4885CA2 1683/4885ACHE 195/4885

“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.