SCHEMBL1324010

SCHEMBL1324010

CCOC(=O)c1noc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.56
MEN1 O00255 1/20 0.53
HSP90AA1 P07900 1/20 0.53
KMT2A Q03164 1/20 0.53
GABRA1 P14867 3/20 0.52
GABRG2 P18507 3/20 0.52
GABRB3 P28472 3/20 0.52
GABRA5 P31644 3/20 0.52
GABRA3 P34903 3/20 0.52
GABRA2 P47869 3/20 0.52
ACHE P22303 1/20 0.51
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
GABRE P78334 1/20 0.51

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
SCHEMBL17338654 0.86 CASP3 (0.54) MAOBACHEMAOACASP3SENP8
SCHEMBL4306909 0.86 MAOB (0.52) MAOBMEN1KMT2AACHEALDH1A1
SCHEMBL491943 0.82 KDM4E (0.50) MAOBMEN1KMT2AGABRA1GABRG2
SCHEMBL17338655 0.81 MAOB (0.48) MAOBMEN1KMT2AACHEMAOA
SCHEMBL8308126 0.81 MAOB (0.48) MAOBMEN1HSP90AA1KMT2AGABRA1
SCHEMBL17338667 0.80 MAOB (0.46) MAOBACHEMAOACASP3SENP8
SCHEMBL492496 0.79 AKR1B1 (0.54) MAOBMEN1HSP90AA1KMT2AALDH1A1
SCHEMBL8304336 0.78 MAOB (0.51) MAOBMEN1KMT2AACHEALDH1A1
SCHEMBL1572943 0.77 KDM4E (0.52) MAOBKMT2AGABRA1GABRG2GABRB3
SCHEMBL30174438 0.77 KDM4E (0.52) MAOBKMT2AGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-04 US disclosed
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-04 US disclosed
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-04 US disclosed
WO-2015189117-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-17 WO disclosed
WO-2015189117-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-17 WO disclosed
US-8058276-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2011-11-15 US disclosed
US-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-1996578-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP disclosed
WO-2008009487-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2008-01-24 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-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases PHKG1, MAP3K20, CDK2 MAOB 1931/4885MEN1 2277/4885HSP90AA1 1051/4885
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF ABAT, HADHB, CYP11B2 MAOB 376/4885MEN1 4601/4885HSP90AA1 2055/4885

“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.