SCHEMBL4035542

SCHEMBL4035542

O=C1NC(=O)/C(=C\c2ccccc2-c2ccccc2Cl)S1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.62
IGF1R P08069 4/20 0.60
TTR P02766 2/20 0.60
NAT1 P18440 1/20 0.60
PIM1 P11309 5/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
AKR1B1 P15121 1/20 0.57
PIM2 Q9P1W9 4/20 0.56
PIM3 Q86V86 2/20 0.56
GSK3B P49841 2/20 0.56
LMNA P02545 1/20 0.55
PLA2G1B P04054 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
TDP2 O95551 1/20 0.55
CASP7 P55210 1/20 0.55
CASP9 P55211 1/20 0.55

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
SCHEMBL4035544 1.00 PIK3CG (0.62) PIK3CGIGF1RTTRNAT1PIM1
SCHEMBL4198477 1.00 PIK3CG (0.62) PIK3CGIGF1RTTRNAT1PIM1
SCHEMBL1247522 0.88 PIM1 (0.72) PIK3CGIGF1RTTRNAT1PIM1
SCHEMBL1247523 0.88 PIM1 (0.72) PIK3CGIGF1RTTRNAT1PIM1
SCHEMBL6927233 0.82 IGF1R (0.60) PIK3CGIGF1RTTRNAT1PIM1
SCHEMBL6927235 0.82 IGF1R (0.60) PIK3CGIGF1RTTRNAT1PIM1
SCHEMBL4035316 0.82 PIM1 (0.64) PIK3CGIGF1RNAT1PIM1AKR1B1
SCHEMBL4035319 0.82 PIM1 (0.64) PIK3CGIGF1RNAT1PIM1AKR1B1
SCHEMBL4206382 0.82 PIM1 (0.64) PIK3CGIGF1RNAT1PIM1AKR1B1
SCHEMBL1247443 0.82 PIM1 (0.62) IGF1RTTRNAT1PIM1MEN1

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 PIK3CG 4236/4885IGF1R 908/4885TTR 595/4885

“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.