SCHEMBL19001282

SCHEMBL19001282

O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
MAPK1 P28482 2/20 0.69
SLC6A7 Q99884 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MAPT P10636 1/20 0.68
HPGD P15428 7/20 0.67
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
POLB P06746 1/20 0.66
KDM4E B2RXH2 4/20 0.59
TSHR P16473 1/20 0.58
RCE1 Q9Y256 1/20 0.58

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
SCHEMBL18995928 0.93 ALDH1A1 (0.62) ALDH1A1MAPK1SLC6A7L3MBTL1MAPT
SCHEMBL19001365 0.88 SLC6A7 (0.71) ALDH1A1MAPK1SLC6A7L3MBTL1MAPT
SCHEMBL25010218 0.85 ALDH1A1 (0.76) ALDH1A1MAPK1SLC6A7L3MBTL1MAPT
SCHEMBL1458671 0.83 ALDH1A1 (0.57) ALDH1A1MAPK1SLC6A7L3MBTL1MAPT
SCHEMBL20467485 0.82 HPGD (0.97) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL8154101 0.82 SLC6A7 (1.00) ALDH1A1MAPK1SLC6A7L3MBTL1MAPT
SCHEMBL18995987 0.82 SLC6A7 (0.64) ALDH1A1MAPK1SLC6A7L3MBTL1MAPT
SCHEMBL13601160 0.81 ALDH1A1 (0.79) ALDH1A1MAPK1SLC6A7L3MBTL1HPGD
SCHEMBL15583893 0.81 HPGD (1.00) ALDH1A1MAPK1MAPTHPGDMEN1
SCHEMBL20467460 0.81 HPGD (1.00) ALDH1A1MAPK1MAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2023-02-09 US disclosed
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 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-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY NFKBIA, IKBKB, NFKB2 ALDH1A1 4286/4885MAPK1 997/4885SLC6A7 4328/4885
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT ALDH1A1 1374/4885MAPK1 2199/4885SLC6A7 1939/4885

“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.