SCHEMBL7871463

SCHEMBL7871463

COC(=O)c1ccc(N)c(NCc2ccc(OC)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.56
ALDH1A1 P00352 1/20 0.52
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
LNPEP Q9UIQ6 5/20 0.50
MAPT P10636 1/20 0.49
VNN1 O95497 2/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ASPH Q12797 1/20 0.47
RIOX2 Q8IUF8 1/20 0.47
KDM8 Q8N371 1/20 0.47

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
SCHEMBL18995963 0.90 HDAC1 (0.56) HDAC1ALDH1A1HDAC3HDAC2NCOR2
SCHEMBL12004538 0.90 GAA (0.54) HDAC1ALDH1A1CA1CA2HDAC3
SCHEMBL23286785 0.86 CA1 (0.61) HDAC1ALDH1A1CA1CA2LNPEP
SCHEMBL7752202 0.85 CA1 (0.52) HDAC1ALDH1A1CA1CA2HDAC3
SCHEMBL4315483 0.83 NCF1 (0.53) HDAC1ALDH1A1CA1CA2MAPT
SCHEMBL16042130 0.82 CA1 (0.50) HDAC1ALDH1A1CA1CA2HDAC2
SCHEMBL23286843 0.81 LNPEP (0.46) HDAC1ALDH1A1CA1CA2LNPEP
SCHEMBL31612035 0.80 MAPT (0.54) ALDH1A1CA1CA2MAPTKMT2A
SCHEMBL17184370 0.80 MAPT (0.54) ALDH1A1CA1CA2MAPTKMT2A
SCHEMBL1065928 0.80 HDAC1 (0.71) HDAC1ALDH1A1CA1CA2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144742-B2 Quinoxaline compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-12-04 US disclosed
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 US disclosed
EP-3131881-A1 QUINOXALINE COMPOUNDS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2017-02-22 EP disclosed
WO-2015161142-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-22 WO disclosed
WO-2015161142-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-22 WO disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 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 (2 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-10144742-B2 Quinoxaline compounds and uses thereof NAMPT, NQO2, NNMT HDAC1 987/4885ALDH1A1 1374/4885CA1 3815/4885
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT HDAC1 987/4885ALDH1A1 1374/4885CA1 3815/4885

“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.