SCHEMBL6450386

SCHEMBL6450386

CC(C)(C)C(OC(=O)Oc1ccccc1[N+](=O)[O-])c1nnc(-c2cc(Cl)nc(Cl)c2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.38
TP53 P04637 1/20 0.36
PKM P14618 2/20 0.36
HTT P42858 4/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CEPT1 Q9Y6K0 1/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
MAPT P10636 6/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.34
GUSB P08236 1/20 0.34
THRB P10828 2/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
POLB P06746 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
SCHEMBL6403481 0.84 MAPT (0.38) CETPALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6408790 0.70 MAPT (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6672983 0.70 MAPT (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6404227 0.69 MAPT (0.41) PKMALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6403652 0.69 PTGS2 (0.46) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6405134 0.69 PTGS2 (0.46) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6402677 0.67 MAPT (0.41) PKMALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5164726 0.67 ALDH1A1 (0.50) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8134133 0.66 ALDH1A1 (0.53) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL983419 0.65 ALDH1A1 (0.62) HTTALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ CETP 434/4885TP53 4513/4885PKM 686/4885

“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.