SCHEMBL4033197

SCHEMBL4033197

O=C1NC(=O)/C(=C\c2cccc(-c3ccccc3Cl)c2)S1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.67
PIM2 Q9P1W9 8/20 0.67
SCN9A Q15858 1/20 0.65
IGF1R P08069 1/20 0.60
PIM3 Q86V86 1/20 0.60
AKR1B1 P15121 4/20 0.58
CISD1 Q9NZ45 3/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
ADAMTS5 Q9UNA0 2/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 1/20 0.57
PIK3CG P48736 1/20 0.56
TTR P02766 1/20 0.54
GSK3B P49841 1/20 0.54

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
SCHEMBL4209957 1.00 PIM1 (0.67) PIM1PIM2SCN9AIGF1RPIM3
SCHEMBL4033200 1.00 PIM1 (0.67) PIM1PIM2SCN9AIGF1RPIM3
SCHEMBL4035319 0.88 PIM1 (0.64) PIM1PIM2IGF1RPIM3AKR1B1
SCHEMBL4206382 0.88 PIM1 (0.64) PIM1PIM2IGF1RPIM3AKR1B1
SCHEMBL4035316 0.88 PIM1 (0.64) PIM1PIM2IGF1RPIM3AKR1B1
SCHEMBL6202184 0.84 PIM1 (0.76) PIM1PIM2SCN9AIGF1RPIM3
SCHEMBL6923577 0.83 IGF1R (0.74) PIM1PIM2IGF1RPIM3AKR1B1
SCHEMBL6923574 0.83 IGF1R (0.74) PIM1PIM2IGF1RPIM3AKR1B1
SCHEMBL4033254 0.81 SCN9A (0.71) PIM1PIM2SCN9APIM3AKR1B1
SCHEMBL4540360 0.81 SCN9A (0.71) PIM1PIM2SCN9APIM3AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501509-A4 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2009-07-15 EP disclosed
US-7348348-B2 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK & CO. INC. (US) 2008-03-25 US disclosed
US-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK SHARP & DOHME CORP. 2005-07-28 US disclosed
EP-1501509-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2004024061-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-03-25 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-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers KCNN1, KCNH1, KCNN2 PIM1 3431/4885PIM2 3506/4885SCN9A 17/4885

“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.