SCHEMBL3211290

SCHEMBL3211290

O=C(CN1CCOCC1)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.76
CYP2C19 P33261 2/20 0.76
CYP1A2 P05177 1/20 0.76
RECQL P46063 1/20 0.76
ALDH1A1 P00352 9/20 0.71
CYP2C9 P11712 1/20 0.71
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.66
HTT P42858 1/20 0.66
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
POLB P06746 2/20 0.63
PKM P14618 1/20 0.61
MAPT P10636 1/20 0.58

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 0.89 CYP2D6 (0.95) CYP2D6CYP2C19CYP1A2RECQLALDH1A1
SCHEMBL3207575 0.88 CYP2D6 (0.97) CYP2D6CYP2C19CYP1A2RECQLALDH1A1
SCHEMBL6323061 0.85 LMNA (0.78) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL12694371 0.81 POLB (0.75) CYP2C19ALDH1A1CYP2C9KMT2AMEN1
SCHEMBL1353693 0.80 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL25522803 0.80 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL3203453 0.80 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL17896865 0.80 ALDH1A1 (0.82) ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL16096264 0.80 KMT2A (0.69) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL4577546 0.79 ALDH1A1 (0.72) 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 3 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-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US 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 (2 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-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.