SCHEMBL681864

SCHEMBL681864

Cc1nn(CC(=O)Nc2sc(C)c(C)c2C(N)=O)c(C)c1[N+](=O)[O-]

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.80
MAPT P10636 2/20 0.80
LMNA P02545 3/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MCL1 Q07820 1/20 0.52
AIP O00170 1/20 0.50
SGTA O43765 1/20 0.50
TOMM70 O94826 1/20 0.50
STIP1 P31948 1/20 0.50
PPP5C P53041 1/20 0.50
FKBP4 Q02790 1/20 0.50
PPID Q08752 1/20 0.50
FKBP5 Q13451 1/20 0.50
FKBP8 Q14318 1/20 0.50
TOMM34 Q15785 1/20 0.50

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
SCHEMBL8288773 0.83 MAPT (0.61) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL3918756 0.82 ALDH1A1 (0.70) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL3922647 0.77 MAPT (0.59) ALDH1A1MAPTHTTSMN1; SMN2L3MBTL1
SCHEMBL6437855 0.75 ALDH1A1 (0.58) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL3921443 0.73 GAA (0.63) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL1520529 0.73 POLB (0.63) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL14586394 0.73 ALDH1A1 (0.48) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL3914838 0.71 GAA (0.76) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL8289416 0.71 ALDH1A1 (0.60) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL3278975 0.69 ALDH1A1 (0.78) ALDH1A1MAPTLMNAPOLBHTT

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-20110275584-A1 PREVENTION AND TREATMENT OF INFLAMMATION-INDUCED AND/OR IMMUNE-MEDIATED BONE LOSS ONEPHARM RESEARCH AND DEVELOPMENT GMBH (AT) 2011-11-10 US disclosed
US-20100087413-A1 Prevention and treatment of inflammation-induced and/or immune-mediated bone loss ONEPHARM RESEARCH AND DEVELOPMENT GMBH (AT) 2010-04-08 US disclosed
US-20080153791-A1 11Beta -Hydroxysteroid Dehydrogenases ONPHARM GMBH (CH) 2008-06-26 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 (3 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-20080153791-A1 11Beta -Hydroxysteroid Dehydrogenases HSD11B1, HSD11B2, HSD17B1 ALDH1A1 174/4885MAPT 4299/4885LMNA 4114/4885
US-20110275584-A1 PREVENTION AND TREATMENT OF INFLAMMATION-INDUCED AND/OR IMMUNE-MEDIATED BONE LOSS MMP1, MMP11, HSD11B2 ALDH1A1 248/4885MAPT 3726/4885LMNA 2566/4885
US-20100087413-A1 Prevention and treatment of inflammation-induced and/or immune-mediated bone loss MMP1, HSD11B1, HSD11B2 ALDH1A1 241/4885MAPT 3637/4885LMNA 2410/4885

“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.