SCHEMBL3371340

SCHEMBL3371340

Cc1ccccc1S(=O)(=O)c1[c]c2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 5/20 0.35
HSD11B1 P28845 1/20 0.35
MAPT P10636 4/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.34
MCOLN3 Q8TDD5 2/20 0.34
BRD4 O60885 1/20 0.33
NPSR1 Q6W5P4 3/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL6185593 0.78 PTGS2 (0.35) KDM4EL3MBTL1ALDH1A1BRD4EGFR
SCHEMBL10816405 0.73 PSIP1 (0.39) KDM4ECYP3A4CYP2C9ALDH1A1MAPT
SCHEMBL475089 0.71 ALDH1A1 (0.55) KDM4EPOLBCYP3A4CYP2C9L3MBTL1
SCHEMBL29468592 0.71 ALDH1A1 (0.55) KDM4EPOLBCYP3A4CYP2C9L3MBTL1
SCHEMBL3371382 0.68 KDM4E (0.41) KDM4EPOLBCYP3A4CYP2C9L3MBTL1
SCHEMBL29547 0.66 AHR (0.37) KDM4ECYP3A4ALDH1A1MAPTHTT
SCHEMBL6668140 0.65 NPC1 (0.42) CYP3A4ALDH1A1MAPTHTTBRD4
SCHEMBL31092469 0.64 HTR6 (0.57) KDM4EPOLBCYP3A4CYP2C9L3MBTL1
SCHEMBL1713160 0.64 HTR6 (0.57) KDM4EPOLBCYP3A4CYP2C9L3MBTL1
SCHEMBL27623150 0.64 ALDH1A1 (0.49) KDM4EPOLBCYP3A4CYP2C9L3MBTL1

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 269/4885POLB 1637/4885CYP3A4 1333/4885
US-20080161338-A1 Novel Pyrrolodihydroisoquinolines as Pde 10 Inhibitors PDE12, PDE5A, PDE3A KDM4E 202/4885POLB 1782/4885CYP3A4 1160/4885
US-20070105840-A1 Pyrrolo-dihydroisoquinoline derivatives as pde10 inhibitors PDE12, PDE2A, PDE5A KDM4E 847/4885POLB 481/4885CYP3A4 2025/4885

“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.