SCHEMBL4805652

SCHEMBL4805652

CNc1cc(-c2ncccc2Cl)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.47
RORC P51449 2/20 0.46
DHODH Q02127 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRPV1 Q8NER1 3/20 0.44
PDK1 Q15118 4/20 0.43
PDK2 Q15119 4/20 0.43
PDK3 Q15120 4/20 0.43
PDK4 Q16654 4/20 0.43
RORB Q92753 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
NTRK1 P04629 1/20 0.42
TRPM4 Q8TD43 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIK1 P39086 1/20 0.41

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
SCHEMBL14083203 0.86 TRPV1 (0.52) TRPV1NTRK1
SCHEMBL4179499 0.83 KDM4E (0.51) KDM4ETDP1TRPV1PDK1PDK2
SCHEMBL14083192 0.82 TRPV1 (0.54) KDM4ETRPV1
SCHEMBL4812253 0.82 ACLY (0.57) ACLYKDM4EKDM4CTRPM4
SCHEMBL14082109 0.81 SMN1; SMN2 (0.45) ACLYRORCDHODHKDM4ETRPV1
SCHEMBL14083223 0.80 TRPV1 (0.48) TRPV1
SCHEMBL14083213 0.80 TRPV1 (0.53) TRPV1LMNASMN1; SMN2
SCHEMBL4182257 0.80 KDM4E (0.47) RORCDHODHKDM4ETDP1TRPV1
SCHEMBL4809441 0.80 KDM4E (0.47) ACLYRORCKDM4ETDP1TRPV1
SCHEMBL14083207 0.79 TRPV1 (0.70) TRPV1

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 11 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
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
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 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 ACLY 758/4885RORC 2787/4885DHODH 3640/4885
US-20050197364-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 ACLY 758/4885RORC 2787/4885DHODH 3640/4885
US-20050192293-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 ACLY 758/4885RORC 2787/4885DHODH 3640/4885

“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.