SCHEMBL1720643

SCHEMBL1720643

CCc1cc2ccccc2c(=O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.68
KDM4E B2RXH2 5/20 0.61
GAA P10253 3/20 0.61
PARP1 P09874 1/20 0.60
APAF1 O14727 6/20 0.54
CASP3 P42574 6/20 0.54
SENP8 Q96LD8 6/20 0.54
SENP7 Q9BQF6 6/20 0.54
SENP6 Q9GZR1 5/20 0.54
CASP6 P55212 4/20 0.54
TNKS2 Q9H2K2 1/20 0.50
CDC25B P30305 10/20 0.49
ALDH1A1 P00352 5/20 0.49
SAE1 Q9UBE0 4/20 0.49
UBA2 Q9UBT2 4/20 0.49
HPGD P15428 4/20 0.49
THRB P10828 4/20 0.49
MAPT P10636 3/20 0.49
UBE2I P63279 2/20 0.49
RECQL P46063 2/20 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
SCHEMBL7343701 0.82 LOXL2 (0.60) LOXL2KDM4EGAAPARP1APAF1
SCHEMBL24459973 0.82 LOXL2 (0.47) LOXL2KDM4EGAAPARP1APAF1
SCHEMBL2532412 0.81 PARP1 (0.65) LOXL2KDM4EGAAPARP1APAF1
SCHEMBL15303909 0.81 LOXL2 (1.00) LOXL2KDM4EGAAPARP1APAF1
SCHEMBL7452968 0.81 LOXL2 (0.68) LOXL2KDM4EGAAPARP1APAF1
SCHEMBL6046763 0.81 LOXL2 (0.68) LOXL2KDM4EGAAPARP1APAF1
SCHEMBL30249827 0.81 LOXL2 (1.00) LOXL2KDM4EGAAPARP1APAF1
SCHEMBL6645515 0.80 TNKS (0.62) LOXL2KDM4EGAAPARP1APAF1
SCHEMBL1719557 0.79 PARP1 (0.46) LOXL2KDM4EGAAPARP1TNKS2
SCHEMBL1720887 0.79 PARP1 (0.46) LOXL2KDM4EGAAPARP1APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1284967-A1 3-SUBSTITUTED ISOQUINOLIN-1-YL DERIVATIVES Celltech R&D Limited (GB) 2003-02-26 EP disclosed
US-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed
WO-2001092233-A1 3-SUBSTITUTED ISOQUINOLIN-1-YL DERIVATIVES CELLTECH R & D LIMITED (GB) 2001-12-06 WO disclosed
US-5407942-A For treating hypertension, atherosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1995-04-18 US disclosed
EP-0569795-B1 Sulphonylbenzyl substituted benzo- and pyridopyridones BAYER AG (DE) 1995-04-12 EP disclosed
US-5354749-A For treating arterial hypertension and atheroschlerosis BAYER AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed
EP-0569794-A1 Biphenylmethyl-substituted pyridones useful as angiotensin II receptor antagonists. BAYER AG (DE) 1993-11-18 EP disclosed
EP-0569795-A1 Sulphonylbenzyl substituted benzo- and pyridopyridones BAYER AG (DE) 1993-11-18 EP disclosed
WO-1993014086-A1 SUBSTITUTED 1-ISOQUINOLONE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-07-22 WO disclosed
US-3961062-A Pharmaceutical composition containing 1-(imidazole-1-yl)-isoquinolines and method of treating hyperlipemia HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-01 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 (1 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 LOXL2 4474/4885KDM4E 3585/4885GAA 505/4885

“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.