SCHEMBL4816871

SCHEMBL4816871

NCc1cc(Br)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
GLA P06280 1/20 0.53
DGAT1 O75907 1/20 0.43
APEX1 P27695 1/20 0.42
MYC P01106 1/20 0.41
NR4A1 P22736 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GPR35 Q9HC97 1/20 0.40
PTPRC P08575 1/20 0.40
PTPRG P23470 1/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACLY P53396 1/20 0.40

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
SCHEMBL1806032 0.86 HPGD (0.48) KDM4EGLADGAT1KMT2APTGDR2
SCHEMBL27761984 0.85 DGAT1 (0.56) KDM4EGLADGAT1RXFP1PTGDR2
SCHEMBL25612072 0.85 KDM4E (0.58) KDM4EGLADGAT1APEX1MYC
SCHEMBL31529596 0.85 KDM4E (0.58) KDM4EGLADGAT1APEX1MYC
Hydrochloric Acid SCHEMBL29919912 0.83 KDM4E (0.56) KDM4EGLADGAT1APEX1MYC
SCHEMBL257249 0.82 KDM4E (0.50) KDM4EGLAAPEX1MYCNR4A1
SCHEMBL1500169 0.82 KDM4E (0.50) KDM4EGLADGAT1APEX1MYC
SCHEMBL3746157 0.82 PTGDR2 (0.53) KDM4EGLADGAT1APEX1MYC
SCHEMBL27733273 0.81 KMT2A (0.41) KDM4EGLADGAT1APEX1MEN1
SCHEMBL25332095 0.81 KDM4E (0.48) KDM4EGLADGAT1APEX1MYC

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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 US disclosed
EP-1685109-A2 AMIDE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF Renovis, Inc. (US) 2006-08-02 EP disclosed
US-20050197364-A1 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. 2005-09-08 US disclosed
US-20050192293-A1 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. 2005-09-01 US disclosed
WO-2005034870-A2 AMIDE COMPOUNDS AND ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2005-04-21 WO disclosed
WO-2005032493-A2 AMIDE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2005-04-14 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 (3 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 KDM4E 4231/4885GLA 2806/4885DGAT1 1285/4885
US-20050197364-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 KDM4E 4231/4885GLA 2806/4885DGAT1 1285/4885
US-20050192293-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 KDM4E 4231/4885GLA 2806/4885DGAT1 1285/4885

“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.