SCHEMBL6403448

SCHEMBL6403448

CC(C)(C)C(Cn1cnc(Cc2ccccc2)c1)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
HTR2A P28223 1/20 0.40
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
PPARG P37231 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL6403444 1.00 CYP19A1 (0.40) CYP19A1HTR2AALDH1A1SMN1; SMN2LMNA
SCHEMBL5632096 0.77 RAB9A (0.49) ALDH1A1SMN1; SMN2LMNACYP2C9CYP2C19
SCHEMBL6402488 0.77 RAB9A (0.43) HTR2AALDH1A1SMN1; SMN2LMNACYP2C9
SCHEMBL6402498 0.77 RAB9A (0.43) HTR2AALDH1A1SMN1; SMN2LMNACYP2C9
SCHEMBL5632091 0.77 RAB9A (0.49) ALDH1A1SMN1; SMN2LMNACYP2C9CYP2C19
SCHEMBL8371544 0.76 MAPT (0.45) ALDH1A1SMN1; SMN2LMNACYP2C9CYP2C19
SCHEMBL6410126 0.75 MAOB (0.49) CYP19A1HTR2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6410121 0.75 MAOB (0.49) CYP19A1HTR2AALDH1A1SMN1; SMN2LMNA
SCHEMBL15038855 0.73 HTR2A (0.43) CYP19A1HTR2AALDH1A1SMN1; SMN2LMNA
SCHEMBL5631835 0.70 CTSB (0.48) HTR2AALDH1A1SMN1; SMN2LMNAKMT2A

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 CYP19A1 188/4885HTR2A 4216/4885ALDH1A1 2900/4885

“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.