SCHEMBL5587745

SCHEMBL5587745

Cc1ccc(N=C(c2ccccc2)c2cccc(C(=Nc3ccc(C)cc3C(C)C)c3ccccc3)n2)c(C(C)C)c1.[Co]

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
TRPA1 O75762 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL5589912 0.99 ALDH1A1 (0.36) ALDH1A1SCN5ASCN2AGABRA1GABRB1
SCHEMBL5588541 0.85 SIGMAR1 (0.42) SCN5ASCN2AGABRA1GABRB1KMT2A
SCHEMBL5588856 0.84 GABRA1 (0.36) ALDH1A1SCN5ASCN2AGABRA1GABRB1
SCHEMBL5588691 0.84 KMT2A (0.40) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL14280808 0.84 SIGMAR1 (0.43) SCN5ASCN2AGABRA1GABRB1KMT2A
SCHEMBL5589687 0.84 SIGMAR1 (0.43) SCN5ASCN2AGABRA1GABRB1KMT2A
SCHEMBL5590401 0.83 GABRA1 (0.37) ALDH1A1SCN5ASCN2AGABRA1GABRB1
SCHEMBL5587353 0.82 KMT2A (0.41) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL19887500 0.82 KMT2A (0.41) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL5587396 0.81 TRPA1 (0.37) ALDH1A1SCN5ASCN2AKMT2AMEN1

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-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US 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 ALDH1A1 2181/4885SCN5A 4228/4885SCN2A 4650/4885

“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.