Sugi Predict

Sugi Predict / Compounds / SCHEMBL867483

SCHEMBL867483

SCHEMBL867483

O=C(CCl)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SRD5A2 P31213 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ SGMS2 Q8NHU3 2/20 0.37
▸ MGLL Q99685 1/20 0.37

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
SCHEMBL99439 0.88 HPGDS (0.44) SMN1; SMN2MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL18993737 0.88 SMN1; SMN2 (0.41) SMN1; SMN2MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL18993738 0.88 SMN1; SMN2 (0.41) SMN1; SMN2MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL28694265 0.87 MAPT (0.43) SMN1; SMN2MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL98338 0.85 MAPT (0.54) SMN1; SMN2MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL9565258 0.85 SMN1; SMN2 (0.42) SMN1; SMN2MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL29498305 0.85 MAPT (0.54) SMN1; SMN2MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL1205431 0.83 SMN1; SMN2 (0.41) SMN1; SMN2MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL17513842 0.82 HTT (0.45) SMN1; SMN2MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL9652415 0.80 ADRB2 (0.44) SRD5A2ADORA3PIK3CGMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4726778-B2 — — 2011-07-20 — — JP claimed
EP-1613599-B8 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES NOVARTIS AG (CH) 2011-06-22 — — EP claimed
EP-1613599-B1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES NOVARTIS AG (CH) 2010-12-15 — — EP claimed
US-7605267-B2 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones NOVARTIS AG (CH) 2009-10-20 — — US claimed
JP-2006522055-A — — 2006-09-28 — — JP claimed
US-20060189653-A1 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones NOVARTIS AG (CH) 2006-08-24 — — US claimed
EP-1613599-A1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES Novartis AG (CH) 2006-01-11 — — EP claimed
WO-2004087668-A1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES NOVARTIS AG (CH) 2004-10-14 — — WO claimed
US-9682935-B2 Process for preparation of indacaterol or its pharmaceutically acceptable salts Rao, Davuluri Ramamohan (IN) 2017-06-20 — — US disclosed
US-9682935-B2 Process for preparation of indacaterol or its pharmaceutically acceptable salts Rao, Davuluri Ramamohan (IN) 2017-06-20 — — US disclosed
US-20160326118-A1 Novel Process for Preparation of Indacaterol or Its Pharmaceutically Acceptable Salts RAO, DAVULURI RAMAMOHAN, MR. (IN) 2016-11-10 — — US disclosed
US-20160326118-A1 Novel Process for Preparation of Indacaterol or Its Pharmaceutically Acceptable Salts RAO, DAVULURI RAMAMOHAN, MR. (IN) 2016-11-10 — — US disclosed
US-9040559-B2 BETA2-adrenoceptor agonists NOVARTIS AG (CH) 2015-05-26 — — US disclosed
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2014-11-20 — — US disclosed
WO-2004087668-A1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES NOVARTIS AG (CH) 2004-10-14 — — WO disclosed
EP-1183240-A1 BETA2-ADRENOCEPTOR AGONISTS Novartis AG (CH) 2002-03-06 — — EP disclosed
WO-2000075114-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2000-12-14 — — WO disclosed
US-5750701-A Heterocyclic ethanolamine derivatives with β-adrenoreceptor agonistic activity SMITHKLINE BEECHAM PLC (GB) 1998-05-12 — — US disclosed
EP-0750617-A1 NOVEL HETEROCYCLIC ETHANOLAMINE DERIVATIVES WITH BETA-ADRENORECEPTOR AGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-01-02 — — EP disclosed
WO-1995025104-A1 NOVEL HETEROCYCLIC ETHANOLAMINE DERIVATIVES WITH BETA-ADRENORECEPTOR AGONISTIC ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 1995-09-21 — — 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-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS ADRB2, ADRB1, ADRA2A SMN1; SMN2 2106/4885MAPT 2116/4885L3MBTL1 3470/4885
US-20060189653-A1 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones UGT8, KAT8, UGT1A8 SMN1; SMN2 4844/4885MAPT 4715/4885L3MBTL1 784/4885
US-20160326118-A1 Novel Process for Preparation of Indacaterol or Its Pharmaceutically Acceptable Salts HSD11B1, HSD3B1, HSD11B2 SMN1; SMN2 4579/4885MAPT 3590/4885L3MBTL1 4701/4885

“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.