SCHEMBL13490010

SCHEMBL13490010

CNc1cccc(CCCN2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.61
POLB P06746 1/20 0.61
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
DRD2 P14416 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
EPHX2 P34913 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL13489848 0.92 SIGMAR1 (0.54) SIGMAR1POLBKMT2ADRD2SLC6A3
SCHEMBL13490057 0.86 SLC6A3 (0.60) SIGMAR1DRD2SLC6A4SLC6A3
SCHEMBL4367879 0.82 NCF1 (0.60) HTTTSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL21443482 0.78 EPHX2 (0.67) HTTTSHRALDH1A1KDM4EEPHX2
SCHEMBL3211606 0.78 SIGMAR1 (0.69) SIGMAR1POLBHTTKMT2ADRD2
SCHEMBL1651281 0.78 SIGMAR1 (0.67) SIGMAR1POLBHTTKMT2ADRD2
SCHEMBL27338664 0.78 SIGMAR1 (0.67) SIGMAR1POLBHTTKMT2ADRD2
SCHEMBL13489866 0.78 HRH3 (0.64) SIGMAR1DRD2SLC6A4SLC6A3
SCHEMBL15317675 0.78 SIGMAR1 (0.70) SIGMAR1POLBHTTKMT2ADRD2
SCHEMBL26041218 0.78 SIGMAR1 (0.51) SIGMAR1POLBHTTKMT2ADRD2

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 1 patent. 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

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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 SIGMAR1 3611/4885POLB 32/4885HTT 2974/4885

“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.