SCHEMBL5587148

SCHEMBL5587148

C/C(=N\c1ccccc1C)c1ccnc(/C(C)=N/c2ccccc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.40
ESR2 Q92731 2/20 0.37
ESR1 P03372 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GRIN2D O15399 4/20 0.36
GRIN3B O60391 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2B Q13224 4/20 0.36
GRIN2C Q14957 4/20 0.36
GRIN3A Q8TCU5 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PABPC1 P11940 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
EBP Q15125 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL5587151 1.00 SIGMAR1 (0.40) SIGMAR1ESR2ESR1KDM4EGRIN2D
SCHEMBL5587239 0.83 GRIN2D (0.35) SIGMAR1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL5587234 0.83 GRIN2D (0.35) SIGMAR1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL5587881 0.82 MAPT (0.40) KDM4EMEN1KMT2AALOX15TSHR
SCHEMBL5587887 0.82 MAPT (0.40) KDM4EMEN1KMT2AALOX15TSHR
SCHEMBL16077921 0.81 SIGMAR1 (0.40) SIGMAR1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL5587571 0.81 SIGMAR1 (0.40) SIGMAR1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL16077918 0.81 GRIN2D (0.40) SIGMAR1KDM4EGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL1539025 0.81 SIGMAR1 (0.44) SIGMAR1ESR2ESR1KDM4EGRIN2D
Hydrochloric Acid SCHEMBL3290040 0.81 SIGMAR1 (0.44) SIGMAR1ESR2ESR1KDM4EGRIN2D

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-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 SIGMAR1 1143/4885ESR2 2269/4885ESR1 1108/4885

“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.