SCHEMBL5630443

SCHEMBL5630443

CC(C)(C)C(COc1ccc(-n2ccnc2)cc1)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
ADRB1 P08588 10/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP3A4 P08684 2/20 0.42
CYP19A1 P11511 1/20 0.42
ADRB2 P07550 2/20 0.40
ADRB3 P13945 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 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
SCHEMBL5630433 1.00 MAPT (0.43) MAPTNPSR1LMNAALDH1A1HTT
SCHEMBL6408112 0.78 TSHR (0.48) MAPTLMNAALDH1A1CYP19A1SMN1; SMN2
SCHEMBL6408106 0.78 TSHR (0.48) MAPTLMNAALDH1A1CYP19A1SMN1; SMN2
SCHEMBL6410121 0.77 MAOB (0.49) MAPTLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL6410126 0.77 MAOB (0.49) MAPTLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL328169 0.72 HSPB1 (0.49) MAPTNPSR1LMNAALDH1A1CYP1A2
SCHEMBL1067002 0.72 CYP19A1 (0.55) MAPTLMNAHTTCYP3A4CYP19A1
SCHEMBL5631111 0.70 CTSK (0.44) MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL5631115 0.70 CTSK (0.44) MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL8371544 0.70 MAPT (0.45) MAPTLMNAALDH1A1HTTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 US disclosed
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
US-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION 2005-02-24 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 (2 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-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases CTSK, CTSB, CTSS MAPT 3238/4885NPSR1 3105/4885LMNA 3009/4885
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ MAPT 3643/4885NPSR1 3188/4885LMNA 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.