SCHEMBL943285

SCHEMBL943285

N#Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.53
CXCR1 P25024 2/20 0.51
CXCR2 P25025 2/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
NPC1 O15118 2/20 0.50
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
RAB9A P51151 1/20 0.48
GPR35 Q9HC97 1/20 0.47
MMP1 P03956 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
MLYCD O95822 1/20 0.46
DEGS1 O15121 1/20 0.45
ALB P02768 1/20 0.45
HCAR3 P49019 1/20 0.45
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45

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
SCHEMBL12707445 0.88 KDM5A (0.53) KDM5AKMT2AMEN1NPC1POLB
SCHEMBL28931514 0.86 MEN1 (0.60) KDM5ACXCR2KMT2AMEN1NPC1
SCHEMBL31311054 0.85 KMT2A (0.50) KMT2AMEN1NPC1POLBRXFP1
SCHEMBL31311113 0.84 KMT2A (0.49) KMT2AMEN1NPC1POLBRXFP1
SCHEMBL31311087 0.84 KMT2A (0.56) KMT2AMEN1NPC1POLBRXFP1
SCHEMBL14740985 0.83 HCAR3 (0.61) KDM5ACXCR2KMT2AMEN1NPC1
SCHEMBL29692929 0.82 KDM5A (0.59) KDM5ACXCR2KMT2AMEN1NPC1
SCHEMBL6359401 0.81 ALB (0.63) KMT2AMEN1NPC1POLBRXFP1
SCHEMBL13064964 0.80 TOP1 (0.64) KDM5ACXCR2KMT2AMEN1NPC1
SCHEMBL6346687 0.78 ALB (0.60) KMT2AMEN1RAB9AALDH1A1PKM

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-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
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
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 KDM5A 2326/4885CXCR1 4197/4885CXCR2 4567/4885
US-20050282780-A1 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding TTR, ALB, TTPA KDM5A 2326/4885CXCR1 4197/4885CXCR2 4567/4885

“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.