SCHEMBL4682771

SCHEMBL4682771

CC(Cl)(Cl)C(NC(=O)c1ccc(Cl)cc1)N/C(=N\C#N)Nc1cccnc1Cl

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 14/20 0.67
P2RX7 Q99572 5/20 0.67
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ABCC9 O60706 5/20 0.47
ABCC8 Q09428 5/20 0.47
KCNJ8 Q15842 5/20 0.47
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4677755 1.00 KCNJ11 (0.67) KCNJ11P2RX7NPC1RAB9AMEN1
SCHEMBL4682449 0.89 KCNJ11 (0.69) KCNJ11P2RX7ABCC9ABCC8KCNJ8
SCHEMBL4682445 0.89 KCNJ11 (0.69) KCNJ11P2RX7ABCC9ABCC8KCNJ8
SCHEMBL4683532 0.85 KCNJ11 (0.66) KCNJ11P2RX7ABCC9ABCC8KCNJ8
SCHEMBL4683528 0.85 KCNJ11 (0.66) KCNJ11P2RX7ABCC9ABCC8KCNJ8
SCHEMBL5213466 0.84 KCNJ11 (0.52) KCNJ11P2RX7NPC1RAB9AABCC9
SCHEMBL5213464 0.84 KCNJ11 (0.52) KCNJ11P2RX7NPC1RAB9AABCC9
SCHEMBL4266843 0.83 KCNJ11 (0.67) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL13949268 0.83 KCNJ11 (0.67) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4678190 0.83 KCNJ11 (0.67) KCNJ11ABCC9ABCC8KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP claimed
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 US claimed
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 claimed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US claimed
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 US 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
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 (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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 KCNJ11 59/4885P2RX7 2/4885NPC1 950/4885
US-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 KCNJ11 2/4885P2RX7 367/4885NPC1 220/4885

“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.