SCHEMBL6402498

SCHEMBL6402498

CC(C)(C)C(Cn1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
CTSV O60911 2/20 0.40
CTSB P07858 2/20 0.40
CTSL P07711 1/20 0.40
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL6402488 1.00 RAB9A (0.43) RAB9AALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL5632096 0.93 RAB9A (0.49) RAB9AALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL5632091 0.93 RAB9A (0.49) RAB9AALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL6614087 0.80 RAB9A (0.46) RAB9AALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL8371338 0.79 CTSK (0.48) ALDH1A1LMNASMN1; SMN2NPC1MAPT
SCHEMBL6403448 0.77 CYP19A1 (0.40) ALDH1A1LMNASMN1; SMN2HTTCYP2C9
SCHEMBL6403444 0.77 CYP19A1 (0.40) ALDH1A1LMNASMN1; SMN2HTTCYP2C9
SCHEMBL6404198 0.77 CTSK (0.49) RAB9ASMN1; SMN2MAPTCTSSCTSK
SCHEMBL5631657 0.77 CTSK (0.49) RAB9ASMN1; SMN2MAPTCTSSCTSK
SCHEMBL5631408 0.77 CTSK (0.49) RAB9ASMN1; SMN2MAPTCTSSCTSK

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 RAB9A 1009/4885ALDH1A1 2900/4885LMNA 736/4885

“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.