SCHEMBL3846684

SCHEMBL3846684

COC(=O)C(Cc1c[nH]c2ccccc12)NC(=S)c1ccc2c(c1)OCO2

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
HCRTR1 O43613 1/20 0.57
NPBWR1 P48145 1/20 0.57
MCHR1 Q99705 1/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.51
TACR1 P25103 1/20 0.49
HTT P42858 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49

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
SCHEMBL3846689 1.00 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL13606613 1.00 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL1921333 0.91 NPC1 (0.62) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL13606614 0.91 NPC1 (0.62) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL1921332 0.91 NPC1 (0.62) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7976134 0.81 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7990269 0.81 MAPK1 (0.53) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7990128 0.80 MAPK1 (0.57) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7986305 0.80 MAPK1 (0.56) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7986343 0.80 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036560-A1 (6R,12aR)-2,3,6,7,12,12a-hexahydro-2-methyl-6-(3,4-methylenedioxyphenyl)-pyrazino[2',1':6,1]pyrido[3,4-b]indole-1,4-dione for the treatment of benign prostatic hypertrophy ICOS Corporation (US) 2009-03-18 EP disclosed
US-6784179-B2 treating a vascular disease by administering e.g. tadalafil in combination with an endothelium-derived relaxing factor, an atrial natriuretic factor, a brain natriuretic peptide, a C-type natriuretic peptide, or an endothelium-dependent relaxing agent such as serotonin ICOS CORPORATION 2004-08-31 US disclosed
US-20020119976-A1 Tetracyclic derivatives, process of preparation and use ICOS CORPORATION 2002-08-29 US disclosed
US-6369059-B1 INHIBITOR OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP SPECIFIC PDE); CARDIOVASCULAR DISORDERS; PYRAZINO(2',1':6,1)PYRIDO(3,4-B)INDOLE-1,4-DIONES ICOS CORPORATION 2002-04-09 US disclosed
EP-0828479-B1 METHOD OF PRODUCING A SOLID DISPERSION OF A POORLY WATER SOLUBLE DRUG ICOS CORP (US) 2001-10-24 EP disclosed
EP-1113800-A1 COMBINATIONS OF TETRACYCLIC CYCLIC GMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS WITH FURTHER THERAPEUTIC AGENTS ICOS CORPORATION (US) 2001-07-11 EP disclosed
WO-2000015228-A1 COMBINATIONS OF TETRACYCLIC CYCLIC GMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS WITH FURTHER THERAPEUTIC AGENTS ICOS CORPORATION (US) 2000-03-23 WO disclosed
EP-0740668-B1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE ICOS CORP (US) 1998-07-29 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 (1 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-20020119976-A1 Tetracyclic derivatives, process of preparation and use PDE3A, PDE3B, PDE2A SMN1; SMN2 2998/4885MAPK1 452/4885KMT2A 4396/4885

“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.