SCHEMBL4160220

SCHEMBL4160220

Cc1ccc(C(=O)N2CCOCC2)s1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.77
ALDH1A1 P00352 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HRH3 Q9Y5N1 1/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 3/20 0.48
DAO P14920 1/20 0.47
TSHR P16473 1/20 0.47
CNR1 P21554 1/20 0.47
YEATS4 O95619 1/20 0.46
ERN1 O75460 1/20 0.46

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
SCHEMBL4157157 0.84 HPGD (0.66) HPGDALDH1A1L3MBTL1MAPTHRH3
SCHEMBL17319591 0.84 HPGD (0.66) HPGDALDH1A1L3MBTL1MAPTNPC1
SCHEMBL2638071 0.81 HPGD (0.86) HPGDALDH1A1L3MBTL1MAPTNPC1
SCHEMBL12121414 0.81 HPGD (0.62) HPGDALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL12722423 0.81 HPGD (0.77) HPGDALDH1A1L3MBTL1MAPTNPC1
SCHEMBL3157121 0.80 HPGD (0.77) HPGDALDH1A1L3MBTL1MAPTNPC1
SCHEMBL4111861 0.80 HPGD (0.77) HPGDALDH1A1L3MBTL1MAPTNPC1
SCHEMBL16284226 0.80 HPGD (0.57) HPGDALDH1A1L3MBTL1DAOYEATS4
SCHEMBL12529261 0.80 YEATS4 (0.75) HPGDALDH1A1L3MBTL1MAPTNPC1
SCHEMBL13903187 0.80 HPGD (0.71) HPGDALDH1A1L3MBTL1MAPTNPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216789-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPALAN 2010-08-26 US disclosed
US-20100216789-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPALAN 2010-08-26 US disclosed
US-7648986-B2 Substituted thieno[3,2-D]pyrimidines as Rho kinase inhibitors BAYER HEALTHCARE LLC (US) 2010-01-19 US disclosed
US-7648986-B2 Substituted thieno[3,2-D]pyrimidines as Rho kinase inhibitors BAYER HEALTHCARE LLC (US) 2010-01-19 US disclosed
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
EP-1465900-B1 RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2008-05-14 EP disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US disclosed
US-20070238741-A1 Hypertension, atherosclerosis, restenosis, cerebral ischemia, cerebral vasospasm, or erectile dysfunction; 2-(5-chloro-2-thienyl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-11 US disclosed
US-20070238741-A1 Hypertension, atherosclerosis, restenosis, cerebral ischemia, cerebral vasospasm, or erectile dysfunction; 2-(5-chloro-2-thienyl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-11 US disclosed
CN-1950375-A Glucocorticoid receptor modulator compounds and methods- utility LIGAND PHARM INC (US) 2007-04-18 CN disclosed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 EP disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 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 (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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R HPGD 272/4885ALDH1A1 1465/4885L3MBTL1 4786/4885
US-20100216789-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 HPGD 161/4885ALDH1A1 3561/4885L3MBTL1 3311/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R HPGD 272/4885ALDH1A1 1465/4885L3MBTL1 4786/4885
US-20070238741-A1 Hypertension, atherosclerosis, restenosis, cerebral ischemia, cerebral vasospasm, or erectile dysfunction; 2-(5-chloro-2-thienyl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine CIT, PTGIS, PTGIR HPGD 129/4885ALDH1A1 2769/4885L3MBTL1 3976/4885

“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.