SCHEMBL4288878

SCHEMBL4288878

NCc1ncc2ccccc2[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PDPK1 O15530 1/20 0.33
LOXL2 Q9Y4K0 3/20 0.31
BCL2 P10415 1/20 0.30
LOX P28300 2/20 0.30
KCNH2 Q12809 1/20 0.30
AOC3 Q16853 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL6081734 0.82 ATM (0.44) ATMNPC1RAB9ABCHEACHE
SCHEMBL8626591 0.78 ATM (0.40) ATMNPC1RAB9A
SCHEMBL400031 0.78 ATM (0.40) ATMNPC1RAB9A
SCHEMBL12478396 0.77 ATM (0.39) ATMNPC1RAB9AKCNH2
SCHEMBL4620642 0.76 ATM (0.48) ATMNPC1RAB9APDPK1BCL2
SCHEMBL4559941 0.72 ATM (0.48) ATMNPC1RAB9APDPK1
SCHEMBL3535166 0.72 ATM (0.48) ATMNPC1RAB9APDPK1
SCHEMBL5259264 0.72 ATM (0.48) ATMNPC1RAB9APDPK1
SCHEMBL8424490 0.72 ATM (0.48) ATMNPC1RAB9APDPK1
SCHEMBL8423013 0.71 ATM (0.44) ATMNPC1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124641-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2009-05-14 US disclosed
US-20090124641-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2009-05-14 US disclosed
CN-101106998-A Mitotic kinesin inhibitors MERCK & CO INC (US) 2008-01-16 CN disclosed
EP-1855685-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
EP-1855685-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
WO-2006078598-A3 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2007-04-12 WO disclosed
WO-2006078598-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2006-07-27 WO disclosed
WO-2006078598-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2006-07-27 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-20090124641-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B ATM 675/4885NPC1 1055/4885RAB9A 886/4885

“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.