SCHEMBL4679635

SCHEMBL4679635

O=C(NC(Cl)C(Cl)(Cl)Cl)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.58
HTT P42858 2/20 0.54
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.49
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
PTGS2 P35354 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
P2RX7 Q99572 1/20 0.44

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
SCHEMBL4679737 0.84 HTT (0.53) TRPA1HTTKDM4EPOLBLMNA
SCHEMBL4681730 0.84 HPGD (0.47) TRPA1LMNAALDH1A1MAPTHPGD
SCHEMBL1164028 0.84 TRPA1 (0.55) TRPA1HTTKDM4ELMNAALDH1A1
SCHEMBL4678844 0.84 HPGD (0.70) TRPA1LMNAALDH1A1MAPTL3MBTL1
SCHEMBL4682930 0.83 LMNA (0.64) TRPA1KDM4ELMNAALDH1A1MAPT
SCHEMBL4682432 0.81 HPGD (0.72) TRPA1HTTKDM4EPOLBLMNA
SCHEMBL10807324 0.80 ALDH1A1 (0.52) HTTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL4678036 0.80 TRPA1 (0.56) TRPA1HTTKDM4EPOLBLMNA
SCHEMBL1923355 0.76 MEN1 (0.69) TRPA1HTTPOLBLMNAALDH1A1
SCHEMBL10704700 0.75 P2RX1 (0.54) HTTLMNAMAPTHPGDSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US 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 (1 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 TRPA1 104/4885HTT 2960/4885KDM4E 769/4885

“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.