SCHEMBL16115398

SCHEMBL16115398

O=C(c1ccncc1O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.50
HSP90AB1 P08238 2/20 0.50
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.46
NAMPT P43490 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45

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
SCHEMBL17438946 0.98 HSP90AA1 (0.49) HSP90AA1HSP90AB1MAPTTSHRMEN1
SCHEMBL16115677 0.85 KDM4E (0.46) HSP90AA1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL17438482 0.84 KDM4E (0.45) HSP90AA1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL17438763 0.84 KDM4E (0.49) HSP90AA1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL17438783 0.83 KDM4E (0.48) HSP90AA1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL1339008 0.80 KDM4E (0.60) HSP90AA1MAPTTSHRMEN1KMT2A
SCHEMBL554704 0.77 MGLL (0.67) HSP90AA1HSP90AB1TSHRKMT2ASMN1; SMN2
SCHEMBL15754906 0.76 PHGDH (0.66) MAPTTSHRKMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL9614659 0.75 PHGDH (0.64) MAPTTSHRKMT2ASMN1; SMN2KDM4E
Nicopholine SCHEMBL967933 0.73 PKM (0.61) MAPTTSHRMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978427-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR INT AG (CH) 2018-08-08 EP disclosed
EP-2978427-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR INT AG (CH) 2018-08-08 EP disclosed
EP-2978427-A1 FE(III) COMPLEXES FOR TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANAEMIAS Vifor (International) AG (CH) 2016-02-03 EP disclosed
US-9248134-B1 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-02-02 US disclosed
US-9248134-B1 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-02-02 US disclosed
US-9248134-B1 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-02-02 US disclosed
US-20160015716-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-01-21 US disclosed
US-20160015716-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-01-21 US disclosed
US-20160015716-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-01-21 US disclosed
WO-2014154797-A1 FE(III) COMPLEXES FOR TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANAEMIAS VIFOR (INTERNATIONAL) AG (CH) 2014-10-02 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 (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-20160015716-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 HSP90AA1 1607/4885HSP90AB1 1626/4885MAPT 3910/4885

“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.