SCHEMBL23211680

SCHEMBL23211680

Nc1ccccc1NC(CO)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
JAK3 P52333 2/20 0.46
IRAK4 Q9NWZ3 2/20 0.46
MAPK1 P28482 3/20 0.45
CYP3A4 P08684 1/20 0.45
TRPA1 O75762 1/20 0.41
PIN1 Q13526 1/20 0.40
HDAC1 Q13547 2/20 0.40
EPHX1 P07099 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL21410863 1.00 KDM4E (0.51) KDM4EMEN1MAPTKMT2AJAK3
SCHEMBL21410876 0.88 MAPT (0.45) KDM4EMEN1MAPTKMT2AJAK3
SCHEMBL21410902 0.88 MAPT (0.45) KDM4EMEN1MAPTKMT2AJAK3
SCHEMBL21411176 0.77 HDAC1 (0.42) KDM4EJAK3IRAK4MAPK1HDAC1
SCHEMBL23211492 0.77 HDAC1 (0.42) KDM4EJAK3IRAK4MAPK1HDAC1
SCHEMBL27503830 0.77 KMT2A (0.58) KDM4EMEN1MAPTKMT2AJAK3
SCHEMBL8511544 0.76 ANPEP (0.44) KDM4EMEN1MAPTKMT2AHDAC1
SCHEMBL7345520 0.76 MAPK1 (0.58) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL7348151 0.76 MAPK1 (0.58) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL23211479 0.75 LOXL2 (0.45) KDM4EMEN1MAPTKMT2AJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174685-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-30 US disclosed
US-11905297-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-02-20 US disclosed
US-20230122024-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-04-20 US disclosed
US-11479560-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-10-25 US disclosed
US-11472813-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-10-18 US disclosed
US-20210163494-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-03 US disclosed
US-20210107914-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-15 US disclosed
CN-112165940-A OX2R compound 德克萨斯州立大学董事会 2021-01-01 CN 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 (7 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-11479560-B2 OX2R compounds HCRTR2, HCRTR1, OXTR KDM4E 1812/4885MEN1 4617/4885MAPT 1995/4885
US-11905297-B2 OX2R compounds HCRTR2, HCRTR1, OXTR KDM4E 1812/4885MEN1 4617/4885MAPT 1995/4885
US-20240174685-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR KDM4E 1812/4885MEN1 4617/4885MAPT 1995/4885
US-20210107914-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR KDM4E 1812/4885MEN1 4617/4885MAPT 1995/4885
US-20230122024-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR KDM4E 1812/4885MEN1 4617/4885MAPT 1995/4885
US-11472813-B2 OX2R compounds HCRTR2, HCRTR1, OXTR KDM4E 1812/4885MEN1 4617/4885MAPT 1995/4885
US-20210163494-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR KDM4E 1812/4885MEN1 4617/4885MAPT 1995/4885

“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.