SCHEMBL8581111

SCHEMBL8581111

O=C(O)CNC(=O)c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
MAPT P10636 1/20 0.61
HIF1A Q16665 1/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
SLC22A8 Q8TCC7 1/20 0.61
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2C9 P11712 1/20 0.60
MPO P05164 1/20 0.59
CYP3A4 P08684 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2A6 P11509 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 1/20 0.57
RAB9A P51151 1/20 0.57
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
EPHX2 P34913 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL11107537 0.85 KDM4E (0.80) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL7273110 0.83 CYP1A2 (0.63) KDM4EMAPTCYP1A2CYP2C19CYP2C9
SCHEMBL14990877 0.82 CYP1A2 (0.57) KDM4ECYP1A2CYP2C19CYP2C9MPO
SCHEMBL3246848 0.82 CYP1A2 (0.62) KDM4EMAPTCYP1A2CYP2C19CYP2C9
SCHEMBL10988622 0.82 ALDH1A1 (0.68) HIF1ACYP1A2CYP2C19CYP2C9CYP3A4
Hippuric Acid SCHEMBL7486 0.81 GAA (0.68) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL22030672 0.81 GAA (0.68) KDM4EMAPTHIF1ASLC22A6SLC22A8
Hippuric Acid SCHEMBL428479 0.81 GAA (0.68) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL9339173 0.81 MAPT (0.69) KDM4EMAPTCYP1A2CYP2C19CYP2C9
SCHEMBL2998085 0.81 ALDH1A1 (0.64) KDM4ECYP1A2CYP2C19CYP2C9MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4051269-A1 D-AMPHETAMINE COMPOUNDS, COMPOSITIONS, AND PROCESSES FOR MAKING AND USING THE SAME KemPharm, Inc. (US) 2022-09-07 EP disclosed
CN-107827815-B Fluoroquinolone amino derivatives and application thereof in preventing and treating citrus diseases 西南大学 2021-08-03 CN disclosed
WO-2021086426-A1 D-AMPHETAMINE COMPOUNDS, COMPOSITIONS, AND PROCESSES FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2021-05-06 WO disclosed
US-10857211-B2 Genomic instability markers in Fanconi anemia CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2020-12-08 US disclosed
US-20190391092-A1 METABOLIC PROFILING WITH MAGNETIC RESONANCE MASS SPECTROMETRY (MRMS) Oregon Institute of Science and Medicine 2019-12-26 US disclosed
CN-107827815-A Fluoroquinolones aminoderivative and its purposes for preventing and treating citrus disease 西南大学 2018-03-23 CN disclosed
US-20170100462-A1 GENOMIC INSTABILITY MARKERS IN FANCONI ANEMIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-13 US disclosed
WO-2015179779-A1 GENOMIC INSTABILITY MARKERS IN FANCONI ANEMIA CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2015-11-26 WO disclosed
US-8980908-B2 Non-peptidyl, potent, and selective mu opioid receptor antagonists and their use in treating opioid addiction and opioid induced constipation VIRGINIA COMMONWEALTH UNIVERSITY (US) 2015-03-17 US disclosed
US-8980908-B2 Non-peptidyl, potent, and selective mu opioid receptor antagonists and their use in treating opioid addiction and opioid induced constipation VIRGINIA COMMONWEALTH UNIVERSITY (US) 2015-03-17 US disclosed
EP-2802687-A1 IMPROVEMENTS IN COATING TECHNOLOGY Johnson Matthey Public Limited Company (GB) 2014-11-19 EP disclosed
US-8772308-B2 Non-peptidyl, potent, and selective mu opioid receptor antagonists VIRGINIA COMMONWEALTH UNIVERSITY (US) 2014-07-08 US disclosed
US-8772308-B2 Non-peptidyl, potent, and selective mu opioid receptor antagonists VIRGINIA COMMONWEALTH UNIVERSITY (US) 2014-07-08 US disclosed
EP-2663670-A2 IMPROVEMENTS IN COATING TECHNOLOGY Johnson Matthey Public Limited Company (GB) 2013-11-20 EP disclosed
WO-2013104877-A1 IMPROVEMENTS IN COATING TECHNOLOGY JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-07-18 WO disclosed
WO-2012095667-A2 IMPROVEMENTS IN COATING TECHNOLOGY JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2012-07-19 WO disclosed
US-20110306628-A1 NON-PEPTIDYL, POTENT, AND SELECTIVE MU OPIOID RECEPTOR ANTAGONISTS VIRGINIA COMMONWEALTH UNIVERSITY 2011-12-15 US disclosed
US-20110306628-A1 NON-PEPTIDYL, POTENT, AND SELECTIVE MU OPIOID RECEPTOR ANTAGONISTS VIRGINIA COMMONWEALTH UNIVERSITY 2011-12-15 US disclosed
WO-2010083384-A2 NON-PEPTIDYL, POTENT, AND SELECTIVE MU OPIOID RECEPTOR ANTAGONISTS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2010-07-22 WO disclosed
US-5756650-A COMPOSITION COMPRISING POLYAMIC ACID, CURE ACCELERATOR SELECTED FROM GROUP CONSISTING OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AMINO ACID COMPOUND, AROMATIC COMPOUND HAVING TWO OR MORE HYDROXYL GROUPS KABUSHIKI KAISHA TOSHIBA (JP) 1998-05-26 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-20110306628-A1 NON-PEPTIDYL, POTENT, AND SELECTIVE MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRK1, OPRD1 KDM4E 3891/4885MAPT 1886/4885HIF1A 2404/4885

“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.