SCHEMBL3203453

SCHEMBL3203453

Nc1cccc(NC(=O)CN2CCOCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.72
HTT P42858 1/20 0.72
LMNA P02545 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
GAA P10253 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
HRH3 Q9Y5N1 1/20 0.60
POLB P06746 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MAPK1 P28482 1/20 0.60
ATM Q13315 1/20 0.59
MAP4K4 O95819 1/20 0.59
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57

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
SCHEMBL3221943 0.87 POLB (0.78) ALDH1A1SMN1; SMN2POLBMAPK1MAP4K4
SCHEMBL13591876 0.87 TSHR (0.73) ALDH1A1HTTLMNASMN1; SMN2POLB
SCHEMBL3220294 0.86 POLB (0.81) ALDH1A1SMN1; SMN2POLBMAPK1HPGD
SCHEMBL3203432 0.84 ALDH1A1 (0.74) ALDH1A1HTTLMNASMN1; SMN2GAA
SCHEMBL17896865 0.84 ALDH1A1 (0.82) ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL13460020 0.84 POLB (0.59) ALDH1A1HTTSMN1; SMN2HRH3POLB
SCHEMBL4504352 0.84 ALDH1A1 (0.64) ALDH1A1LMNASMN1; SMN2GAAPOLB
SCHEMBL25522803 0.84 ALDH1A1 (0.72) ALDH1A1HTTLMNASMN1; SMN2GAA
SCHEMBL1353693 0.84 ALDH1A1 (0.72) ALDH1A1HTTLMNASMN1; SMN2GAA
SCHEMBL3216808 0.83 ATM (0.74) ALDH1A1LMNASMN1; SMN2GAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 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 (3 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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 ALDH1A1 1600/4885HTT 2974/4885LMNA 1941/4885
US-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 3255/4885HTT 2211/4885LMNA 1934/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 ALDH1A1 997/4885HTT 3087/4885LMNA 2365/4885

“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.