SCHEMBL3370380

SCHEMBL3370380

CCOC(=O)CC(=O)NCCc1ccc(OC)c(OCCOC)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.51
PKM P14618 1/20 0.51
NAMPT P43490 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL3843970 0.91 MAPT (0.57) KMT2AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL6478319 0.91 KMT2A (0.62) KMT2AMAPTLMNA
SCHEMBL6484083 0.90 KMT2A (0.62) KMT2AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL6476553 0.88 KMT2A (0.55) KMT2AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL6475948 0.86 KMT2A (0.62) KMT2AMAPTLMNAALDH1A1
SCHEMBL6023129 0.83 BCHE (0.54) KMT2ALMNAMEN1CA12CA1
SCHEMBL6023779 0.82 KMT2A (0.51) KMT2AALDH1A1MEN1CA12CA1
SCHEMBL6023108 0.81 CA1 (0.54) KMT2ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL6023639 0.81
SCHEMBL6022541 0.81 CA1 (0.57) KMT2ALMNASMN1; SMN2MEN1CA1

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 10 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 disclosed
EP-1641457-B1 PYRROLO-DIHYDROISOQUINOLINE DERIVATIVES AS PDE10 INHIBITORS NYCOMED GMBH (DE) 2009-08-05 EP disclosed
US-20070105840-A1 Pyrrolo-dihydroisoquinoline derivatives as pde10 inhibitors ALTANA PHARMA AG (DE) 2007-05-10 US disclosed
US-20060148838-A1 Novel pyrrolodihydroisoquinolines useful in the treatment of cancer ALTANA PHARMA AG (DE) 2006-07-06 US disclosed
EP-1641794-A1 NOVEL PYRROLODIHYDROISOQUINOLINES USEFUL IN THE TREATMENT OF CANCER ALTANA Pharma AG (DE) 2006-04-05 EP disclosed
EP-1641792-A1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS ALTANA Pharma AG (DE) 2006-04-05 EP disclosed
EP-1641457-A1 PYRROLO-DIHYDROISOQUINOLINE DERIVATIVES AS PDE10 INHIBITORS ALTANA Pharma AG (DE) 2006-04-05 EP disclosed
WO-2005002579-A1 PYRROLO-DIHYDROISOQUINOLINE DERIVATIVES AS PDE10 INHIBITORS ALTANA PHARMA AG (DE) 2005-01-13 WO disclosed
WO-2005003130-A1 NOVEL PYRROLODIHYDROISOQUINOLINES USEFUL IN THE TREATMENT OF CANCER ALTANA PHARMA AG (DE) 2005-01-13 WO 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 (2 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-20060148838-A1 Novel pyrrolodihydroisoquinolines useful in the treatment of cancer MKI67, BAD, CCAR2 KMT2A 1763/4885MAPT 3804/4885LMNA 3565/4885
US-20070105840-A1 Pyrrolo-dihydroisoquinoline derivatives as pde10 inhibitors PDE12, PDE2A, PDE5A KMT2A 1870/4885MAPT 1795/4885LMNA 2383/4885

“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.