SCHEMBL3207575

SCHEMBL3207575

O=C(CN1CCCCC1)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.97

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.97
CYP2C19 P33261 2/20 0.97
CYP1A2 P05177 1/20 0.97
RECQL P46063 1/20 0.97
ALDH1A1 P00352 3/20 0.74
CYP2C9 P11712 1/20 0.74
POLB P06746 2/20 0.72
LMNA P02545 2/20 0.70
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
RAB9A P51151 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
NPC1 O15118 1/20 0.64
GAA P10253 1/20 0.64
HPGD P15428 1/20 0.59

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
SCHEMBL3260049 0.99 CYP2D6 (0.95) CYP2D6CYP2C19CYP1A2RECQLALDH1A1
SCHEMBL3211290 0.88 CYP2D6 (0.76) CYP2D6CYP2C19CYP1A2RECQLALDH1A1
SCHEMBL15092821 0.88 CYP2D6 (0.76) CYP2D6CYP2C19CYP1A2RECQLALDH1A1
SCHEMBL4750190 0.86 CYP2D6 (0.74) CYP2D6CYP2C19CYP1A2RECQLALDH1A1
SCHEMBL4746006 0.84 CYP2D6 (0.71) CYP2D6CYP2C19CYP1A2RECQLALDH1A1
SCHEMBL15092656 0.84 LMNA (0.97) CYP2D6CYP2C19CYP1A2RECQLALDH1A1
SCHEMBL22407654 0.84 LMNA (0.97) CYP2D6CYP2C19CYP1A2RECQLALDH1A1
SCHEMBL4750163 0.82 LMNA (1.00) CYP2D6CYP2C19CYP1A2RECQLALDH1A1
SCHEMBL4749239 0.82 CYP2D6 (0.68) CYP2D6CYP2C19CYP1A2RECQLALDH1A1
SCHEMBL9239160 0.81 CYP2D6 (0.67) CYP2D6CYP2C19CYP1A2RECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7511059-B2 Thiazolidinones, their production and use as pharmaceutical agents SCHERING AG (DE) 2009-03-31 US disclosed
US-7511059-B2 Thiazolidinones, their production and use as pharmaceutical agents SCHERING AG (DE) 2009-03-31 US disclosed
EP-1844027-A1 THIAZOLIDINONES FOR USE AS INHIBITORS OF POLO-LIKE KINASE (PLK) Bayer Schering Pharma Aktiengesellschaft (DE) 2007-10-17 EP disclosed
EP-1824834-A1 META-SUBSTITUTED THIAZOLIDINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-29 EP 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-20060223833-A1 Thiazolidinones, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-05 US disclosed
WO-2006082107-A1 THIAZOLIDINONES FOR USE AS INHIBITORS OF POLO-LIKE KINASE (PLK) BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-08-10 WO disclosed
WO-2006063806-A1 META-SUBSTITUTED THIAZOLIDINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-22 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 CYP2D6 731/4885CYP2C19 1086/4885CYP1A2 1451/4885
US-20060223833-A1 Thiazolidinones, their production and use as pharmaceutical agents PLK2, PLK4, PLK3 CYP2D6 832/4885CYP2C19 820/4885CYP1A2 1203/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 CYP2D6 273/4885CYP2C19 334/4885CYP1A2 691/4885

“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.