SCHEMBL3371382

SCHEMBL3371382

Cc1ccccc1S(=O)(=O)c1[c]cc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HSD11B1 P28845 1/20 0.37
MAPT P10636 4/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.35
MCOLN3 Q8TDD5 2/20 0.35
NPSR1 Q6W5P4 4/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33

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
SCHEMBL29468592 0.73 ALDH1A1 (0.55) KDM4EL3MBTL1POLBCYP3A4CYP2C9
SCHEMBL475089 0.73 ALDH1A1 (0.55) KDM4EL3MBTL1POLBCYP3A4CYP2C9
SCHEMBL28916706 0.70 KDM4E (0.41) KDM4EL3MBTL1POLBCYP3A4CYP2C9
SCHEMBL28604316 0.70 KDM4E (0.44) KDM4EL3MBTL1POLBCYP3A4CYP2C9
SCHEMBL5144369 0.70 KDM4E (0.41) KDM4EL3MBTL1POLBCYP3A4CYP2C9
SCHEMBL6024616 0.70 KDM4E (0.44) KDM4EL3MBTL1POLBCYP3A4CYP2C9
SCHEMBL29414721 0.70 KDM4E (0.44) KDM4EL3MBTL1POLBCYP3A4CYP2C9
SCHEMBL11798388 0.70 KDM4E (0.40) KDM4EL3MBTL1POLBCYP3A4CYP2C9
SCHEMBL28584212 0.68 ALDH1A1 (0.44) KDM4EL3MBTL1POLBCYP3A4CYP2C9
SCHEMBL3371340 0.68 KDM4E (0.40) KDM4EL3MBTL1POLBCYP3A4CYP2C9

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
EP-1641792-B1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS NYCOMED GMBH (DE) 2010-08-25 EP claimed
US-20060148840-A1 Pyrrolodihydroisoquinolines as pde10 inhibitors ALTANA PHARMA AG (DE) 2006-07-06 US claimed
EP-1641792-A1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS ALTANA Pharma AG (DE) 2006-04-05 EP claimed
WO-2005003129-A1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS ALTANA PHARMA AG (DE) 2005-01-13 WO claimed
EP-1641792-B1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS NYCOMED GMBH (DE) 2010-08-25 EP disclosed
EP-1641457-B1 PYRROLO-DIHYDROISOQUINOLINE DERIVATIVES AS PDE10 INHIBITORS NYCOMED GMBH (DE) 2009-08-05 EP disclosed
EP-1838707-B1 NOVEL PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS NYCOMED GMBH (DE) 2009-04-29 EP disclosed
US-20080161338-A1 Novel Pyrrolodihydroisoquinolines as Pde 10 Inhibitors ALTANA PHARMA AG (DE) 2008-07-03 US disclosed
US-20070105840-A1 Pyrrolo-dihydroisoquinoline derivatives as pde10 inhibitors ALTANA PHARMA AG (DE) 2007-05-10 US disclosed
US-20060148840-A1 Pyrrolodihydroisoquinolines as pde10 inhibitors ALTANA PHARMA AG (DE) 2006-07-06 US disclosed
EP-1641792-A1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS ALTANA Pharma AG (DE) 2006-04-05 EP disclosed
WO-2005003129-A1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS ALTANA PHARMA AG (DE) 2005-01-13 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-20060148840-A1 Pyrrolodihydroisoquinolines as pde10 inhibitors PDE12, PDE3A, PDE3B KDM4E 269/4885L3MBTL1 4083/4885POLB 1637/4885
US-20080161338-A1 Novel Pyrrolodihydroisoquinolines as Pde 10 Inhibitors PDE12, PDE5A, PDE3A KDM4E 202/4885L3MBTL1 4458/4885POLB 1782/4885
US-20070105840-A1 Pyrrolo-dihydroisoquinoline derivatives as pde10 inhibitors PDE12, PDE2A, PDE5A KDM4E 847/4885L3MBTL1 4213/4885POLB 481/4885

“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.