SCHEMBL4682827

SCHEMBL4682827

CSC(=NC#N)NCc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ IDO1 P14902 1/20 0.39

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
SCHEMBL4682824 1.00 NPC1 (0.47) NPC1RAB9AALDH1A1HTTL3MBTL1
SCHEMBL26662255 0.83 IDO1 (0.59) NPC1RAB9AALDH1A1HTTL3MBTL1
SCHEMBL19494294 0.79 IDO1 (0.53) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL13325143 0.79 IDO1 (0.53) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL4681732 0.78 NPC1 (0.51) NPC1RAB9AALDH1A1HTTL3MBTL1
SCHEMBL4681736 0.78 NPC1 (0.51) NPC1RAB9AALDH1A1HTTL3MBTL1
SCHEMBL4679515 0.77 MEN1 (0.45) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL4679517 0.77 MEN1 (0.45) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL4684000 0.76 MAPT (0.43) NPC1RAB9AALDH1A1L3MBTL1ALOX12
SCHEMBL4684003 0.76 MAPT (0.43) NPC1RAB9AALDH1A1L3MBTL1ALOX12

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 NPC1 220/4885RAB9A 3504/4885ALDH1A1 704/4885

“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.

Send feedback