SCHEMBL5587785

SCHEMBL5587785

CC(=Nc1c(C)cccc1C)c1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HSP90AA1 P07900 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
BAZ2B Q9UIF8 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37
MC3R P41968 1/20 0.37

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
SCHEMBL5693482 0.98 KMT2A (0.41) KMT2AMAPTGAAPOLBSMN1; SMN2
SCHEMBL5590741 0.87 KMT2A (0.37) KMT2AMAPTGAAPOLBSMN1; SMN2
SCHEMBL16095895 0.87 KMT2A (0.45) KMT2AMAPTGAAPOLBSMN1; SMN2
SCHEMBL5693490 0.86 KMT2A (0.37) KMT2AMAPTGAAPOLBSMN1; SMN2
SCHEMBL16097969 0.85 KMT2A (0.38) KMT2AMAPTGAAPOLBSMN1; SMN2
SCHEMBL17499417 0.84 KMT2A (0.38) KMT2AMAPTGAAPOLBSMN1; SMN2
SCHEMBL5589322 0.84 GAA (0.45) KMT2AMAPTGAAPOLBSMN1; SMN2
SCHEMBL28858395 0.83 KMT2A (0.37) KMT2AMAPTGAAPOLBSMN1; SMN2
SCHEMBL5693496 0.83 GAA (0.44) KMT2AMAPTGAAPOLBSMN1; SMN2
SCHEMBL5588116 0.81 GRIN2D (0.39) KMT2AMAPTHSP90AA1

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 5 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
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO 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 KMT2A 1733/4885MAPT 585/4885GAA 1882/4885

“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.