SCHEMBL3338142

SCHEMBL3338142

O=C(O)c1ccc(-c2cc3ccccc3o2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.58
CA12 O43570 2/20 0.58
CA9 Q16790 2/20 0.58
CA1 P00915 1/20 0.58
CA3 P07451 1/20 0.58
TSHR P16473 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA5A P35218 1/20 0.58
CA7 P43166 1/20 0.58
GPR35 Q9HC97 1/20 0.58
CA14 Q9ULX7 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
MAOA P21397 1/20 0.47
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
TDP1 Q9NUW8 2/20 0.47

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
SCHEMBL3331887 0.83 KDM4E (0.62) MAOBCA12CA9MAOAKMT2A
SCHEMBL2209825 0.83 TSHR (0.58) MAOBCA12CA9CA1CA3
SCHEMBL4460928 0.81 MAOB (0.53) MAOBCA12CA9CA1CA3
SCHEMBL27690303 0.80 MAOB (0.49) MAOBCA12CA9CA1CA3
Potassium SCHEMBL31668788 0.79 MAOB (0.51) MAOBCA12CA9CA1CA3
SCHEMBL13302188 0.77 KDM5A (0.49) MAOBCA12CA9CA1CA3
SCHEMBL8962088 0.76 MAOB (0.58) MAOBCA12CA9CA1CA3
SCHEMBL28576532 0.75 SIRT6 (0.69) KMT2AMEN1TDP1RAB9ANPC1
SCHEMBL5468830 0.75 MAOB (0.62) MAOBMAOAKMT2AMEN1TDP1
SCHEMBL30956969 0.75 MAOB (0.62) MAOBMAOAKMT2AMEN1TDP1

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-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 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-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS SNCA, MAPT, APP MAOB 841/4885CA12 4544/4885CA9 4708/4885

“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.