SCHEMBL11946689

SCHEMBL11946689

[C-]#[N+]/C(C#N)=N\Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 16/20 0.80
▸ PDE3A Q14432 16/20 0.80
▸ TNNC1 P63316 1/20 0.80
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PDE4A P27815 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ MEN1 O00255 1/20 0.43

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
Levosimendan SCHEMBL83243 0.89 PDE3B (1.00) PDE3BPDE3ATNNC1KDM4EALDH1A1
Levosimendan SCHEMBL1818300 0.89 PDE3B (1.00) PDE3BPDE3ATNNC1KDM4EALDH1A1
Simendan SCHEMBL80460 0.89 PDE3B (1.00) PDE3BPDE3ATNNC1KDM4EALDH1A1
Levosimendan SCHEMBL7417215 0.89 PDE3B (1.00) PDE3BPDE3ATNNC1KDM4EALDH1A1
Levosimendan SCHEMBL30307096 0.88 PDE3B (0.98) PDE3BPDE3ATNNC1KDM4EALDH1A1
Levosimendan SCHEMBL27742947 0.88 PDE3B (0.98) PDE3BPDE3ATNNC1KDM4EALDH1A1
SCHEMBL438572 0.86 PDE3B (0.73) PDE3BPDE3ATNNC1KDM4EALDH1A1
Levosimendan SCHEMBL4737565 0.85 PDE3B (0.91) PDE3BPDE3ATNNC1KDM4EALDH1A1
Simendan SCHEMBL23630217 0.83 PDE3B (0.88) PDE3BPDE3ATNNC1KDM4EALDH1A1
SCHEMBL4786358 0.81 PDE3B (0.77) PDE3BPDE3ATNNC1KDM4EALDH1A1

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-8802596-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-12 — — US disclosed
US-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 — — US disclosed
US-8232265-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-07-31 — — US disclosed
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2007-04-26 — — 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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK PDE3B 451/4885PDE3A 677/4885TNNC1 889/4885
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients SLC5A6, PNLIP, IPMK PDE3B 451/4885PDE3A 677/4885TNNC1 889/4885

“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