SCHEMBL4560076

SCHEMBL4560076

COc1ccccc1Oc1ncc(C(N)=O)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.46
ACACB O00763 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
AHR P35869 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 2/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
HPGDS O60760 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL4559079 0.84 MAPT (0.46) NNMTALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL4559035 0.82 RXRA (0.44)
SCHEMBL5528761 0.81 NNMT (0.69) NNMTALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL4558939 0.81 PARP10 (0.52) ALDH1A1HTT
SCHEMBL2715514 0.79 NNMT (0.58) NNMTSMN1; SMN2MAPK1MKNK1MKNK2
SCHEMBL1246894 0.78 PARP10 (0.59) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL3978489 0.76 ALDH1A1 (0.48) ALDH1A1HTTACACBL3MBTL1MAPK1
SCHEMBL28106095 0.75 PARP10 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL28569491 0.75 CA1 (0.56) ALDH1A1HTTSMN1; SMN2POLBL3MBTL1
SCHEMBL23463916 0.75 ALDH1A1 (0.68) ALDH1A1HTTSMN1; SMN2POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 NNMT 139/4885ALDH1A1 1306/4885HTT 1801/4885

“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.