SCHEMBL12424153

SCHEMBL12424153

C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.47
LMNA P02545 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.42
ACHE P22303 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
ADRB1 P08588 1/20 0.41
HSD11B1 P28845 2/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL17631074 0.80 SIRT6 (0.58) SIRT6LMNAKCNJ1KCNH2MEN1
SCHEMBL17645091 0.80 SIRT6 (0.58) SIRT6LMNAKCNJ1KCNH2MEN1
SCHEMBL29310296 0.80 SIRT6 (0.58) SIRT6LMNAKCNJ1KCNH2MEN1
SCHEMBL3551116 0.80 MMP2 (0.42) SIRT6MEN1KMT2AMAPTMAPK1
SCHEMBL20874012 0.80 MAPT (0.41) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL23573620 0.78 MEN1 (0.52) SIRT6MEN1KMT2AMAPTACHE
SCHEMBL2197140 0.77 ALDH1A1 (0.48) LMNAKMT2AMAPTHTTALDH1A1
SCHEMBL12424151 0.77 ALDH1A1 (0.48) LMNAKMT2AMAPTHTTALDH1A1
SCHEMBL5724724 0.77 SIRT6 (0.62) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL13247560 0.77 SIRT6 (0.62) SIRT6LMNAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
EP-2086540-B1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-01-19 EP disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US disclosed
WO-2008065198-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 WO 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-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases COL2A1, MMP1, COL1A1 SIRT6 1080/4885LMNA 906/4885KCNJ1 928/4885

“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.