SCHEMBL3547835

SCHEMBL3547835

NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
MPO P05164 1/20 0.64
MAPT P10636 1/20 0.64
TSHR P16473 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
KMT2A Q03164 1/20 0.64
HIF1A Q16665 1/20 0.64
ERAP2 Q6P179 1/20 0.63
ACE P12821 3/20 0.59
ECE1 P42892 6/20 0.55
LTA4H P09960 1/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL3547828 1.00 KDM4E (0.64) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29405435 1.00 KDM4E (0.64) KDM4EMEN1LMNAMPOMAPT
Hydrochloric Acid SCHEMBL7623258 0.99 KDM4E (0.62) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29844860 0.97 ERAP2 (0.65) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29384524 0.95 ERAP2 (0.68) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29406957 0.94 ERAP2 (0.60) KDM4EMEN1LMNAMPOMAPT
SCHEMBL31215421 0.94 ERAP2 (0.67) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29350328 0.93 ERAP2 (0.65) KDM4EMEN1LMNAMPOMAPT
SCHEMBL30291156 0.92 KDM4E (0.59) KDM4EMEN1LMNAMPOMAPT
SCHEMBL16565972 0.92 KDM4E (0.59) KDM4EMEN1LMNAMPOMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP claimed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US claimed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP claimed
US-20180314790-A1 System, Method and Apparatus for Determining the Effect of Genetic Variants METABOLON, INC. 2018-11-01 US disclosed
US-20170276669-A1 PRECISE ESTIMATION OF GLOMERULAR FILTRATION RATE FROM MULTIPLE BIOMARKERS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-09-28 US disclosed
EP-3215633-A1 SYSTEM, METHOD AND APPARATUS FOR DETERMINING THE EFFECT OF GENETIC VARIANTS Metabolon, Inc. (US) 2017-09-13 EP disclosed
CN-106795186-A The preparation method of morpholino oligonucleotide 味之素株式会社 2017-05-31 CN disclosed
WO-2016073547-A1 SYSTEM, METHOD AND APPARATUS FOR DETERMINING THE EFFECT OF GENETIC VARIANTS METABOLON, INC. (US) 2016-05-12 WO disclosed
US-20140343865-A1 Biomarkers for Kidney Cancer and Methods Using the Same METABOLON, INC. 2014-11-20 US disclosed
EP-2788763-A2 BIOMARKERS FOR KIDNEY CANCER AND METHODS USING THE SAME Metabolon, Inc. (US) 2014-10-15 EP disclosed
CN-102477068-B Amino acid derivative for preparing thrombus dissolving medicament, and preparation method and application thereof UNIV CAPITAL MEDICAL SCIENCES 2013-07-24 CN disclosed
WO-2013086365-A2 BIOMARKERS FOR KIDNEY CANCER AND METHODS USING THE SAME METABOLON, INC. (US) 2013-06-13 WO disclosed
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP disclosed
CN-102477068-A Amino acid derivative for preparing thrombus dissolving medicament, and preparation method and application thereof UNIV CAPITAL MEDICAL 2012-05-30 CN disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP 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-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 KDM4E 3057/4885MEN1 2133/4885LMNA 1449/4885

“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.