SCHEMBL943798

SCHEMBL943798

Cc1ncccc1-c1nc2ccc(C(=O)O)cc2o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.63
TTR P02766 1/20 0.53
ALB P02768 1/20 0.53
MAOA P21397 1/20 0.53
CNR1 P21554 1/20 0.53
DRD1 P21728 1/20 0.53
OPRD1 P41143 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE3A Q14432 1/20 0.53
ELANE P08246 1/20 0.48
DHODH Q02127 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL12707447 0.88 HDAC6 (0.57) HDAC6TTRALBMAOACNR1
SCHEMBL12704769 0.85 TTR (0.60) HDAC6TTRALBMAOACNR1
SCHEMBL12909721 0.81 ALDH1A1 (0.65) HDAC6ELANETDP1NPC1ALDH1A1
SCHEMBL1675530 0.81 MAOA (0.56) HDAC6TTRALBMAOACNR1
SCHEMBL14326103 0.80 HDAC6 (0.77) HDAC6ELANENPC1ALDH1A1RAB9A
SCHEMBL1675655 0.79 TTR (0.47) HDAC6TTRALBMAOACNR1
SCHEMBL20898025 0.79 HSD17B10 (0.62) HDAC6TTRALBMAOACNR1
SCHEMBL12945165 0.79 HDAC6 (0.52) HDAC6ELANETDP1NPC1ALDH1A1
SCHEMBL1675404 0.78 TTR (0.60) HDAC6TTRALBMAOACNR1
SCHEMBL19029396 0.77 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338459-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2012-12-25 US disclosed
US-8338459-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2012-12-25 US disclosed
US-8338459-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2012-12-25 US disclosed
EP-2314584-A1 2-(heteroaryl)-benzoxazole compounds and derivatives, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding Foldrx Pharmaceuticals, Inc. (US) 2011-04-27 EP disclosed
EP-2314584-A1 2-(heteroaryl)-benzoxazole compounds and derivatives, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding Foldrx Pharmaceuticals, Inc. (US) 2011-04-27 EP disclosed
US-20110092545-A1 Compounds, Compositions and Methods for Stabilizing Transthyretin and Inhibiting Transthyretin Misfolding FoldRx Pharmaceuticals, Inc., a Massachusetts corporation 2011-04-21 US disclosed
US-20110092545-A1 Compounds, Compositions and Methods for Stabilizing Transthyretin and Inhibiting Transthyretin Misfolding FoldRx Pharmaceuticals, Inc., a Massachusetts corporation 2011-04-21 US disclosed
US-20110092545-A1 Compounds, Compositions and Methods for Stabilizing Transthyretin and Inhibiting Transthyretin Misfolding FoldRx Pharmaceuticals, Inc., a Massachusetts corporation 2011-04-21 US disclosed
US-7868033-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2011-01-11 US disclosed
US-7868033-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2011-01-11 US disclosed
US-7868033-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2011-01-11 US disclosed
CN-101198598-A 2- ((hetero) aryl) -benzoxazole compounds and derivatives thereof, compositions, and methods for stabilizing and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS INC (US) 2008-06-11 CN disclosed
EP-1768968-A1 2-((HETERO) ARYL)-BENZOXAZOLE COMPOUNDS AND DERIVATIVES, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING Foldrx Pharmaceuticals, Inc. (US) 2007-04-04 EP disclosed
US-20050282780-A1 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, LLC 2005-12-22 US disclosed
WO-2005113523-A1 2-((HETERO) ARYL)-BENZOXAZOLE COMPOUNDS AND DERIVATIVES, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING FOLDRX PHARMACEUTICALS, INC. (US) 2005-12-01 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 (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-20110092545-A1 Compounds, Compositions and Methods for Stabilizing Transthyretin and Inhibiting Transthyretin Misfolding TTR, ALB, TTPA HDAC6 3180/4885TTR 1/4885ALB 2/4885
US-20050282780-A1 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding TTR, ALB, TTPA HDAC6 3180/4885TTR 1/4885ALB 2/4885

“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.