SCHEMBL9602488

SCHEMBL9602488

CC(=O)CC(=O)NCCN1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
POLB P06746 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
PAOX Q6QHF9 1/20 0.51

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
SCHEMBL9779397 0.90 GAA (0.60) TSHRSMN1; SMN2KDM4EPAOX
SCHEMBL15079103 0.87 HSD17B10 (0.56) TSHRPOLBTDP1SMN1; SMN2MAPT
SCHEMBL84933 0.84 TSHR (0.59) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL992153 0.84 SMN1; SMN2 (0.58) TSHRPOLBTDP1SMN1; SMN2MAPT
SCHEMBL5921889 0.84 NPC1 (0.56) TSHRSMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL33262 0.84 TDP1 (0.61) TSHRPOLBTDP1SMN1; SMN2MAPT
SCHEMBL10504617 0.83 SMN1; SMN2 (0.56) TSHRPOLBTDP1SMN1; SMN2MAPT
SCHEMBL23929061 0.82 SMN1; SMN2 (0.82) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL14902204 0.82 NPC1 (0.58) POLBTDP1SMN1; SMN2MAPTKMT2A
SCHEMBL3464761 0.82 SMN1; SMN2 (0.59) TSHRPOLBTDP1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-10-27 US disclosed
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-10-27 US disclosed
US-9394324-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-07-19 US disclosed
US-9394324-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-07-19 US disclosed
US-20130109662-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2013-05-02 US disclosed
US-20130109662-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2013-05-02 US disclosed
EP-0311322-B1 PYRIDINE OR PYRIDAZINE DERIVATIVES AS CARDIO-PROTECTIVE AGENTS AND FOR THE TREATMENT OF ISCHEMIC DISEASE, AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-5037824-A Cardiotonic, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-08-06 US disclosed
US-4990507-A Cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 US disclosed
EP-0387070-A2 N-Containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-12 EP disclosed
CN-1041589-A The preparation method who contains cardioprotective agent and the ischemic disease therapeutical agent and the compound of N-heterogeneous ring compound FUJISAWA PHARMACEUTICAL CO (JP) 1990-04-25 CN disclosed
US-4857527-A HYPOTENSIVE, ANTISCHEMIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
EP-0311322-A2 Pyridine or pyridazine derivatives as cardio-protective agents and for the treatment of ischemic disease, and process for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-12 EP 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-20130109662-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 TSHR 2092/4885POLB 1821/4885TDP1 4796/4885
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 TSHR 2092/4885POLB 1821/4885TDP1 4796/4885

“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.