SCHEMBL6713310

SCHEMBL6713310

O=C(NCCO)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.62
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TRPV1 Q8NER1 2/20 0.53
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
NEK1 Q96PY6 1/20 0.52
GABRA5 P31644 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50

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
SCHEMBL4906850 0.90 HPGDS (0.59) HPGDSKMT2AMEN1TRPV1POLB
SCHEMBL14082178 0.87 HPGDS (0.61) HPGDSKMT2AMEN1TRPV1NPC1
SCHEMBL14082177 0.85 HPGDS (0.59) HPGDSKMT2AMEN1TRPV1HTR1A
SCHEMBL14082207 0.84 TRPV1 (0.58) HPGDSKMT2ATRPV1NPC1LMNA
SCHEMBL13577909 0.83 NAAA (0.65) HPGDSKMT2AMEN1HTR1ADRD2
SCHEMBL4910794 0.82 HPGDS (0.57) HPGDSKMT2AMEN1TRPV1NPC1
SCHEMBL6718174 0.82 NPC1 (0.57) HPGDSKMT2AMEN1KDM4ENPC1
SCHEMBL27824565 0.81 TRPV1 (0.58) HPGDSKMT2AMEN1KDM4EALDH1A1
SCHEMBL14082174 0.81 P2RX7 (0.73) HPGDSKMT2ATRPV1POLBHTR1A
SCHEMBL14082200 0.81 LMNA (0.79) HPGDSKMT2AMEN1KDM4EALDH1A1

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-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-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 HPGDS 643/4885KMT2A 4272/4885MEN1 4218/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 HPGDS 379/4885KMT2A 3611/4885MEN1 3916/4885

“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.