SCHEMBL3264191

SCHEMBL3264191

COc1c(C(=O)O)ccn1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.62
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
NR4A2 P43354 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
COMT P21964 1/20 0.40
ALOX15 P16050 1/20 0.39
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL3260482 0.77 NOTUM (1.00) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL3491824 0.75 NOTUM (0.61) NOTUMALDH1A1KDM4EATML3MBTL1
SCHEMBL5151074 0.74 HTT (0.42) NOTUMALDH1A1KDM4EHPGDHTT
SCHEMBL11453643 0.74 NOTUM (0.65) NOTUMALDH1A1KDM4EHPGDLMNA
SCHEMBL1494701 0.72 NOTUM (0.49) NOTUMALDH1A1KDM4EHPGDNR4A2
SCHEMBL3492555 0.72 NR4A2 (0.56) NOTUMALDH1A1KDM4ENR4A2MEN1
SCHEMBL35210145 0.70 ALDH1A1 (0.35) NOTUMALDH1A1KDM4EHPGDKMT2A
SCHEMBL28931676 0.70 NOTUM (0.68) NOTUMALDH1A1KDM4EHPGDMEN1
SCHEMBL10998702 0.70 NR4A3 (0.59) ALDH1A1HPGDL3MBTL1
SCHEMBL15506073 0.69 CA12 (0.51) NOTUMALDH1A1KDM4EHPGDMEN1

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-7671049-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-03-02 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 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 (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-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB NOTUM 731/4885ALDH1A1 3907/4885KDM4E 1422/4885

“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.