SCHEMBL1721134

SCHEMBL1721134

CC(C)c1cc2ccccc2c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
GAA P10253 3/20 0.59
LOXL2 Q9Y4K0 1/20 0.51
CDC25B P30305 10/20 0.47
ALDH1A1 P00352 6/20 0.47
APAF1 O14727 6/20 0.47
CASP3 P42574 5/20 0.47
SENP8 Q96LD8 5/20 0.47
SENP7 Q9BQF6 5/20 0.47
SAE1 Q9UBE0 4/20 0.47
UBA2 Q9UBT2 4/20 0.47
HPGD P15428 4/20 0.47
THRB P10828 4/20 0.47
SENP6 Q9GZR1 4/20 0.47
MAPT P10636 3/20 0.47
UBE2I P63279 2/20 0.47
RECQL P46063 2/20 0.47
GALK1 P51570 1/20 0.47
SMAD3 P84022 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47

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
SCHEMBL155511 0.86 KDM4E (0.56) KDM4EGAALOXL2CDC25BALDH1A1
SCHEMBL30249877 0.86 KDM4E (0.56) KDM4EGAALOXL2CDC25BALDH1A1
SCHEMBL155510 0.86 KDM4E (0.56) KDM4EGAALOXL2CDC25BALDH1A1
SCHEMBL14948305 0.83 KDM4E (0.53) KDM4EGAALOXL2CDC25BALDH1A1
SCHEMBL20849750 0.83 LOXL2 (0.54) KDM4EGAALOXL2CDC25BALDH1A1
SCHEMBL23668006 0.79 CDC25B (0.54) KDM4EGAALOXL2CDC25BALDH1A1
SCHEMBL23668005 0.79 CDC25B (0.54) KDM4EGAALOXL2CDC25BALDH1A1
SCHEMBL6601327 0.77 LOXL2 (0.51) KDM4EGAALOXL2CDC25BALDH1A1
SCHEMBL29488099 0.75 KDM4E (1.00) KDM4EGAALOXL2CDC25BALDH1A1
SCHEMBL824574 0.75 KDM4E (1.00) KDM4EGAALOXL2CDC25BALDH1A1

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
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 US disclosed
US-10570116-B2 1,4-dicarbonyl-piperidyl derivatives MERCK PATENT GMBH (DE) 2020-02-25 US disclosed
US-20190092751-A1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2019-03-28 US disclosed
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP disclosed
US-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed
WO-1993014086-A1 SUBSTITUTED 1-ISOQUINOLONE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-07-22 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 (4 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 KDM4E 3585/4885GAA 505/4885LOXL2 4474/4885
US-10570116-B2 1,4-dicarbonyl-piperidyl derivatives TNKS, TANK, TBKBP1 KDM4E 125/4885GAA 1276/4885LOXL2 2227/4885
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 KDM4E 1632/4885GAA 1804/4885LOXL2 2535/4885
US-20190092751-A1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES TNKS, TANK, TBKBP1 KDM4E 125/4885GAA 1276/4885LOXL2 2227/4885

“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.