SCHEMBL12218312

SCHEMBL12218312

CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 6/20 0.75
▸ PDE3A Q14432 5/20 0.75
▸ ADAMTS5 Q9UNA0 3/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ DYRK1A Q13627 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ MAPT P10636 2/20 0.68
▸ LMNA P02545 1/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68
▸ CISD1 Q9NZ45 3/20 0.64
▸ PIM1 P11309 1/20 0.62
▸ PIM3 Q86V86 1/20 0.62
▸ DYRK2 Q92630 1/20 0.62
▸ PIM2 Q9P1W9 1/20 0.62
▸ POLB P06746 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ NAT1 P18440 1/20 0.60
▸ MGAM O43451 1/20 0.60
▸ GAA P10253 1/20 0.60

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
SCHEMBL8311580 0.87 PDE4B (1.00) PDE4BPDE3AADAMTS5MEN1KMT2A
SCHEMBL8311581 0.87 PDE4B (1.00) PDE4BPDE3AADAMTS5MEN1KMT2A
SCHEMBL7066328 0.86 HPGD (0.67) ADAMTS5MEN1KMT2ACISD1IGF1R
SCHEMBL7066323 0.86 HPGD (0.67) ADAMTS5MEN1KMT2ACISD1IGF1R
SCHEMBL7958251 0.83 MMP13 (0.70) ADAMTS5CISD1NAT1
SCHEMBL7958249 0.83 MMP13 (0.70) ADAMTS5CISD1NAT1
SCHEMBL8310975 0.81 PDE4B (0.89) PDE4BPDE3AADAMTS5MEN1KMT2A
SCHEMBL8306525 0.81 PDE4B (0.89) PDE4BPDE3AADAMTS5MEN1KMT2A
SCHEMBL8310978 0.81 PDE4B (0.89) PDE4BPDE3AADAMTS5MEN1KMT2A
SCHEMBL8306523 0.81 PDE4B (0.89) PDE4BPDE3AADAMTS5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 — — US disclosed
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 — — US disclosed
WO-2007087424-A2 METHOD OF TREATING KCNQ RELATED DISORDERS USING ORGANOZINC COMPOUNDS THE JOHNS HOPKINS UNIVERSITY (US) 2007-08-02 — — 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-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds KCNQ3, KCNQ1, KCNQ5 PDE4B 1707/4885PDE3A 589/4885ADAMTS5 1771/4885

“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.

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