SCHEMBL1444102

SCHEMBL1444102

N/N=C(/c1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.53
▸ MAPT P10636 5/20 0.53
▸ KDM4E B2RXH2 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ POLB P06746 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ SENP7 Q9BQF6 2/20 0.53
▸ SENP6 Q9GZR1 2/20 0.53
▸ APAF1 O14727 1/20 0.53
▸ PAX8 Q06710 1/20 0.53
▸ PIK3CA P42336 5/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ MTOR P42345 3/20 0.46
▸ NSD2 O96028 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MPI P34949 1/20 0.44
▸ THRB P10828 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HPGD P15428 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
SCHEMBL1444110 1.00 GAA (0.53) GAAMAPTKDM4EKMT2APOLB
SCHEMBL1444477 0.88 GAA (0.54) GAAMAPTKDM4EKMT2APOLB
SCHEMBL1444466 0.88 GAA (0.54) GAAMAPTKDM4EKMT2APOLB
SCHEMBL1443109 0.88 PIK3CA (0.46) GAAMAPTKDM4EKMT2APOLB
SCHEMBL1443116 0.88 PIK3CA (0.46) GAAMAPTKDM4EKMT2APOLB
SCHEMBL11900619 0.84 MAPT (0.46) GAAMAPTKDM4EKMT2APOLB
SCHEMBL11900613 0.84 MAPT (0.46) GAAMAPTKDM4EKMT2APOLB
SCHEMBL11900791 0.82 PIK3CA (0.57) GAAMAPTKDM4EKMT2APOLB
SCHEMBL11900783 0.82 PIK3CA (0.57) GAAMAPTKDM4EKMT2APOLB
SCHEMBL11901244 0.79 GAA (0.47) GAAMAPTKDM4EKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473486-B2 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2021-09-22 — — EP disclosed
EP-2473486-B1 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2015-10-28 — — EP disclosed
US-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 — — US disclosed
EP-2473486-A1 NOVEL PYRIMIDINE AND TRIAZINE HEPCIDINE ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-07-11 — — EP disclosed
WO-2011026835-A1 NOVEL PYRIMIDINE AND TRIAZINE HEPCIDINE ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-10 — — WO disclosed
US-20090215765-A1 Neuroprotective compounds for treating optic neuropathies THE JOHNS HOPKINS UNIVERSITY (US) 2009-08-27 — — US disclosed
WO-2006116301-A1 NEUROPROTECTIVE COMPOUNDS FOR TREATING OPTIC NEUROPATHIES THE JOHNS HOPKINS UNIVERSITY (US) 2006-11-02 — — 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 (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-20090215765-A1 Neuroprotective compounds for treating optic neuropathies NLN, GAP43, AIFM1 GAA 3458/4885MAPT 561/4885KDM4E 4215/4885
US-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists HAMP, DHPS, SLC40A1 GAA 1717/4885MAPT 4432/4885KDM4E 3527/4885

“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.

Send feedback