SCHEMBL3335325

SCHEMBL3335325

COc1ccc2cc(-c3c[nH]c4c(C(=O)O)cccc34)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ PRKAB2 O43741 4/20 0.47
▸ PRKAG1 P54619 4/20 0.47
▸ PRKAA2 P54646 4/20 0.47
▸ PRKAA1 Q13131 4/20 0.47
▸ PRKAG3 Q9UGI9 4/20 0.47
▸ PRKAG2 Q9UGJ0 4/20 0.47
▸ PRKAB1 Q9Y478 4/20 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
SCHEMBL13302169 0.85 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL3332983 0.84 GFER (0.42) SMN1; SMN2CDC25BCYP1A2CYP3A4CYP2D6
SCHEMBL15780703 0.78 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL2456084 0.77 GSTP1 (0.55) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL13828205 0.76 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL2879060 0.75 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL2510203 0.73 CDC25B (0.64) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL31613816 0.73 CDC25B (0.64) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL12019936 0.73 GSTP1 (0.65) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL11871562 0.72 CSNK2A2 (0.41) KDM4ESMN1; SMN2NPC1MAPTRAB9A

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 7 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
WO-2008058402-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-05-22 — — 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-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS SNCA, MAPT, APP KDM4E 1608/4885SMN1; SMN2 141/4885ALDH1A1 3687/4885

“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.

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