SCHEMBL15909413

SCHEMBL15909413

O=C1CSC(=O)N1Cc1nnn[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
PIM1 P11309 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MYC P01106 1/20 0.34
PPARG P37231 1/20 0.33
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL15909080 0.71 GSK3A (0.45) GSK3AGSK3BPIM1POLBSMN1; SMN2
SCHEMBL11512934 0.67
SCHEMBL7252535 0.66 GSK3A (0.82) GSK3AGSK3BPIM1POLBHSD17B10
SCHEMBL1692737 0.66 GSK3A (0.43) GSK3AGSK3BPIM1POLBSMN1; SMN2
SCHEMBL1693280 0.65 GSK3A (0.49) GSK3AGSK3BPIM1POLBSMN1; SMN2
SCHEMBL6240280 0.63
SCHEMBL7834360 0.63
SCHEMBL17002547 0.62 ALOX15 (0.38) HSD17B10MAPTALDH1A1KMT2A
SCHEMBL338442 0.62 GSK3A (1.00) GSK3AGSK3BPIM1POLBMAPT
SCHEMBL5462616 0.60 GSK3A (0.60) 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.