SCHEMBL4809441

SCHEMBL4809441

Nc1cc(-c2ncccc2Cl)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPM1B O75688 1/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
RORB Q92753 1/20 0.45
NTRK1 P04629 1/20 0.44
TRPV1 Q8NER1 3/20 0.44
RORC P51449 2/20 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
PKM P14618 1/20 0.42
KMO O15229 1/20 0.41
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HAVCR2 Q8TDQ0 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
SCHEMBL4179499 0.87 KDM4E (0.51) KDM4ETDP1LMNASMN1; SMN2RORB
SCHEMBL14083348 0.83 TRPV1 (0.59) NTRK1TRPV1KMT2A
SCHEMBL4182257 0.83 KDM4E (0.47) KDM4ETDP1LMNASMN1; SMN2NAPRT
SCHEMBL4816413 0.82 DPP4 (0.46) KDM4ETDP1LMNASMN1; SMN2NAPRT
SCHEMBL15048943 0.80 KDM4E (0.47) KDM4ETDP1LMNASMN1; SMN2NAPRT
SCHEMBL14083352 0.80 TRPV1 (0.61) NTRK1TRPV1KMT2A
SCHEMBL4908258 0.80 TRPV1 (0.67) KDM4ETRPV1RORCPDK1PDK2
SCHEMBL4805652 0.80 ACLY (0.47) KDM4ETDP1LMNASMN1; SMN2RORB
SCHEMBL14083366 0.78 TRPV1 (0.53) NTRK1TRPV1
SCHEMBL14083364 0.77 TRPV1 (0.55) NTRK1TRPV1

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 KDM4E 4231/4885TDP1 4448/4885PPM1B 3823/4885
US-20050197364-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 KDM4E 4231/4885TDP1 4448/4885PPM1B 3823/4885
US-20050192293-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 KDM4E 4231/4885TDP1 4448/4885PPM1B 3823/4885

“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.