SCHEMBL1596912

SCHEMBL1596912

O=[C]c1cccc2c1Nc1ccccc1S2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 10/20 0.53
MAPT P10636 7/20 0.53
GAA P10253 6/20 0.53
SNCA P37840 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALOX15 P16050 2/20 0.53
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ALOX12 P18054 1/20 0.53
MAOA P21397 1/20 0.53
CNR1 P21554 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL6005181 0.83 NOX1 (0.53) NOX1MAPTGAASNCAMEN1
SCHEMBL2583563 0.83 NOX1 (0.53) NOX1MAPTGAASNCAMEN1
SCHEMBL30274184 0.77 NOX1 (0.67) NOX1MAPTGAASNCAMEN1
SCHEMBL10530491 0.77 NOX1 (0.67) NOX1MAPTGAASNCAMEN1
SCHEMBL344332 0.77 NOX1 (0.59) NOX1MAPTGAASNCAMEN1
SCHEMBL29962430 0.77 NOX1 (0.59) NOX1MAPTGAASNCAMEN1
SCHEMBL10456330 0.76 NOX1 (0.53) NOX1MAPTGAASNCAMEN1
SCHEMBL27043155 0.76 NOX1 (0.48) NOX1MAPTGAASNCAMEN1
SCHEMBL4633797 0.76 NOX1 (0.48) NOX1MAPTGAASNCAMEN1
SCHEMBL2900717 0.75 NOX1 (0.57) NOX1MAPTGAASNCAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4685861-B2 2011-05-18 JP claimed
EP-1749001-B1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMA INC (US) 2010-03-03 EP claimed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US claimed
EP-1749001-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS Aventis Pharmaceuticals, Inc. (US) 2007-02-07 EP claimed
WO-2005111025-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2005-11-24 WO claimed
CN-114206916-A Restricted peptides 缇尔索卢森公司 2022-03-18 CN disclosed
CN-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 CN disclosed
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 US disclosed
EP-1749001-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS Aventis Pharmaceuticals, Inc. (US) 2007-02-07 EP disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
WO-2005111025-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2005-11-24 WO disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 US disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP 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 (4 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-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A NOX1 1092/4885MAPT 75/4885GAA 221/4885
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS DRD3, DRD2, DRD4 NOX1 916/4885MAPT 1413/4885GAA 1916/4885
US-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 NOX1 54/4885MAPT 4554/4885GAA 1738/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 NOX1 115/4885MAPT 4279/4885GAA 2117/4885

“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.