SCHEMBL402068

SCHEMBL402068

CCC(C(=O)NC(CCC(N)=O)C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
KCNQ2 O43526 2/20 0.48
MAPT P10636 1/20 0.48
MME P08473 3/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
KDM4A O75164 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL9831290 0.86 MME (0.61) KMT2AKCNQ2MAPTMMEALDH1A1
SCHEMBL9831283 0.86 MME (0.61) KMT2AKCNQ2MAPTMMEALDH1A1
SCHEMBL1449796 0.85 KCNQ2 (0.55) KMT2AKCNQ2MAPTMMEALDH1A1
SCHEMBL9828894 0.83 MME (0.63) KMT2AKCNQ2MAPTMMEALDH1A1
SCHEMBL9828899 0.83 MME (0.63) KMT2AKCNQ2MAPTMMEALDH1A1
SCHEMBL5283204 0.83 KMT2A (0.56) KMT2AMMEMMP2MMP9NAALAD2
SCHEMBL2330908 0.81 LTA4H (0.54) KCNQ2MAPTALDH1A1
SCHEMBL2330911 0.81 LTA4H (0.54) KCNQ2MAPTALDH1A1
SCHEMBL6426081 0.81 KMT2A (0.56) KMT2AMMEMMP2MMP9NAALAD2
SCHEMBL2330325 0.80 MME (0.49) KMT2AKCNQ2MAPTMMEALDH1A1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005053607-A2 METHOD FOR PREVENTING HEPATIC ENCEPHALOPATHIC EPISODES MEDICIS PHARMACEUTICAL CORPORATION (US) 2005-06-16 WO claimed
US-20040229948-A1 Method for preventing hepatic encephalopathic episodes MEDICIS PHARMACEUTICAL CORPORATION 2004-11-18 US claimed
US-20240041807-A1 COMBINATION THERAPY TO TREAT UREA CYCLE DISORDERS BAYLOR COLLEGE OF MEDICINE 2024-02-08 US disclosed
US-11819483-B2 Combination therapy to treat urea cycle disorders BAYLOR COLLEGE OF MEDICINE (US) 2023-11-21 US disclosed
US-20230181504-A1 COMBINATION THERAPY TO TREAT UREA CYCLE DISORDERS BAYLOR COLLEGE OF MEDICINE 2023-06-15 US disclosed
US-11517547-B2 Combination therapy to treat urea cycle disorders BAYLOR COLLEGE OF MEDICINE (US) 2022-12-06 US disclosed
US-20200170984-A1 COMBINATION THERAPY TO TREAT UREA CYCLE DISORDERS BAYLOR COLLEGE OF MEDICINE 2020-06-04 US disclosed
EP-3645053-A1 COMBINATION THERAPY TO TREAT UREA CYCLE DISORDERS Baylor College of Medicine (US) 2020-05-06 EP disclosed
US-10183006-B2 Methods of therapeutic monitoring of nitrogen scavenging drugs HORIZON THERAPEUTICS, LLC (US) 2019-01-22 US disclosed
WO-2019006164-A1 COMBINATION THERAPY TO TREAT UREA CYCLE DISORDERS BAYLOR COLLEGE OF MEDICINE (US) 2019-01-03 WO disclosed
EP-3133396-B1 METHODS OF TREATMENT USING AMMONIA-SCAVENGING DRUGS HORIZON THERAPEUTICS LLC (US) 2018-09-05 EP disclosed
US-20110079093-A1 Methods of Distinguishing Between Glutamine Formed by Cataplerosis or Proteolysis BIOCANT (PT) 2011-04-07 US disclosed
EP-2286238-A1 METHODS OF DISTINGUISHING BETWEEN GLUTAMINE FORMED BY CATAPLEROSIS OR PROTEOLYSIS Biocant - Associação De Transferência De Tecnologia (PT) 2011-02-23 EP disclosed
WO-2010025303-A9 DOSING AND MONITORING PATIENTS ON NITROGEN-SCAVENGING DRUGS HYPERION THERAPEUTICS (US) 2010-06-24 WO disclosed
WO-2010025303-A1 DOSING AND MONITORING PATIENTS ON NITROGEN-SCAVENGING DRUGS HYPERION THERAPEUTICS (US) 2010-03-04 WO disclosed
US-20100008859-A1 METHODS OF TREATMENT USING AMMONIA-SCAVENGING DRUGS HORIZON THERAPEUTICS U.S. HOLDING LLC 2010-01-14 US disclosed
WO-2009141619-A1 METHODS OF DISTINGUISHING BETWEEN GLUTAMINE FORMED BY CATAPLEROSIS OR PROTEOLYSIS Biocant - Associação De Transferência De Tecnologia (PT) 2009-11-26 WO disclosed
WO-2009134460-A1 METHODS OF TREATMENT USING AMMONIA-SCAVENGING DRUGS HYPERION THERAPEUTICS (US) 2009-11-05 WO disclosed
WO-2005053607-A2 METHOD FOR PREVENTING HEPATIC ENCEPHALOPATHIC EPISODES MEDICIS PHARMACEUTICAL CORPORATION (US) 2005-06-16 WO disclosed
US-20040229948-A1 Method for preventing hepatic encephalopathic episodes MEDICIS PHARMACEUTICAL CORPORATION 2004-11-18 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 (3 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-20040229948-A1 Method for preventing hepatic encephalopathic episodes OAT, PYGL, SLC10A1 KMT2A 3686/4885KCNQ2 3478/4885MAPT 243/4885
US-10183006-B2 Methods of therapeutic monitoring of nitrogen scavenging drugs OAT, NPR1, CPS1 KMT2A 3883/4885KCNQ2 3943/4885MAPT 3758/4885
US-20100008859-A1 METHODS OF TREATMENT USING AMMONIA-SCAVENGING DRUGS OAT, SLC1A5, GLS KMT2A 1446/4885KCNQ2 3684/4885MAPT 2200/4885

“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.