SCHEMBL15909080

SCHEMBL15909080

O=C1CSC(=O)N1Cc1nn[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
PIM1 P11309 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.37
PADI4 Q9UM07 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL1693280 0.74 GSK3A (0.49) GSK3AGSK3BPIM1POLBSMN1; SMN2
SCHEMBL1692737 0.72 GSK3A (0.43) GSK3AGSK3BPIM1POLBSMN1; SMN2
SCHEMBL15909413 0.71 GSK3A (0.45) GSK3AGSK3BPIM1POLBSMN1; SMN2
SCHEMBL7252535 0.66 GSK3A (0.82) GSK3AGSK3BPIM1POLBHSD17B10
SCHEMBL181852 0.63
SCHEMBL7834360 0.63
SCHEMBL6240280 0.63
SCHEMBL20827820 0.62 TSHR (0.55) POLBTSHRALDH1A1PADI4L3MBTL1
SCHEMBL338442 0.62 GSK3A (1.00) GSK3AGSK3BPIM1POLBMAPT
SCHEMBL4324858 0.60 GSK3A (0.70) GSK3AGSK3BPIM1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 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-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA GSK3A 303/4885GSK3B 291/4885PIM1 247/4885

“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.