SCHEMBL4072818

SCHEMBL4072818

COc1ccc2oc3c4ccccc4c(=O)[nH]c3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.56
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 5/20 0.51
MAPT P10636 5/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
RXFP1 Q9HBX9 3/20 0.50
PIM1 P11309 2/20 0.50
CSNK2B P67870 2/20 0.50
CSNK2A2 P19784 1/20 0.50
PIM3 Q86V86 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
KMT2A Q03164 4/20 0.49
PPARG P37231 3/20 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
SCHEMBL5470345 0.89 RAB9A (0.58) MAOAKDM4EALDH1A1HPGDMAPT
SCHEMBL18852011 0.82 PIM1 (0.47) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL5323077 0.79 ALDH1A1 (0.56) MAOAKDM4EALDH1A1HPGDMAPT
SCHEMBL4078024 0.79 MAOA (0.53) MAOAKDM4EALDH1A1MAPTRAB9A
SCHEMBL18852012 0.79 CSNK2B (0.51) KDM4EALDH1A1PIM1CSNK2BCSNK2A2
SCHEMBL24026229 0.78 KMT2A (0.49) MAOAKDM4EALDH1A1HPGDMAPT
SCHEMBL1984213 0.78 KMT2A (0.56) MAOAKDM4EALDH1A1HPGDMAPT
SCHEMBL13377736 0.77 ABCG2 (0.61) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL1905327 0.75 KDM4E (0.62) MAOAKDM4EALDH1A1HPGDMAPT
SCHEMBL14028590 0.73 ALDH1A1 (0.47) KDM4EALDH1A1HPGDNPC1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033645-A1 Isoquinoline derivatives and methods of use thereof Inotek Pharmaceuticals Corporation (US) 2009-03-11 EP disclosed
US-20070249653-A1 Tetracyclic benzamide derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-25 US disclosed
US-20070249653-A1 Tetracyclic benzamide derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-25 US disclosed
US-20070249653-A1 Tetracyclic benzamide derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-25 US disclosed
US-7268143-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-09-11 US disclosed
US-7217709-B2 Tetracyclic benzamide derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-05-15 US disclosed
US-7217709-B2 Tetracyclic benzamide derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-05-15 US disclosed
US-20060019980-A1 Methods for treating or preventing erectile dysfunction or urinary incontinence INOTEK PHARMACEUTICAL, CORP. (US) 2006-01-26 US disclosed
US-6956035-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2005-10-18 US disclosed
US-20050228007-A1 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2005-10-13 US disclosed
US-20050049270-A1 Isoquinoline derivatives and methods of use thereof JAGTAP PRAKASH (US) 2005-03-03 US disclosed
US-20040229895-A1 Tetracyclic benzamide derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2004-11-18 US disclosed
US-20040039009-A1 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2004-02-26 US 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 (6 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-20050228007-A1 Isoquinoline derivatives and methods of use thereof GLS, PINK1, PARK7 MAOA 1092/4885KDM4E 3282/4885ALDH1A1 635/4885
US-20060019980-A1 Methods for treating or preventing erectile dysfunction or urinary incontinence PDE3A, PDE3B, PDE5A MAOA 48/4885KDM4E 1369/4885ALDH1A1 478/4885
US-20040039009-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 MAOA 485/4885KDM4E 1995/4885ALDH1A1 1165/4885
US-20070249653-A1 Tetracyclic benzamide derivatives and methods of use thereof TBC1D5, TBC1D15, BAD MAOA 1772/4885KDM4E 2163/4885ALDH1A1 585/4885
US-20050049270-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 MAOA 485/4885KDM4E 1995/4885ALDH1A1 1165/4885
US-20040229895-A1 Tetracyclic benzamide derivatives and methods of use thereof TBC1D5, TBC1D15, BAD MAOA 1772/4885KDM4E 2163/4885ALDH1A1 585/4885

“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.