SCHEMBL4682177

SCHEMBL4682177

N#CN=C(N)Nc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
RAB9A P51151 8/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 3/20 0.39
P2RX7 Q99572 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4682176 1.00 SIGMAR1 (0.49) SIGMAR1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL4680039 0.81 POLB (0.39) SIGMAR1POLBMEN1KMT2AALDH1A1
SCHEMBL4680036 0.81 POLB (0.39) SIGMAR1POLBMEN1KMT2AALDH1A1
SCHEMBL4685491 0.80 ALDH1A1 (0.39) SIGMAR1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL4685493 0.80 ALDH1A1 (0.39) SIGMAR1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL6400980 0.79 SIGMAR1 (0.58) SIGMAR1RAB9ANPC1POLBMEN1
SCHEMBL6401562 0.79 CYP1A2 (0.47) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL6400976 0.79 SIGMAR1 (0.58) SIGMAR1RAB9ANPC1POLBMEN1
SCHEMBL6406473 0.79 USP30 (0.39) RAB9ANPC1KMT2AALDH1A1P2RX7
SCHEMBL6406477 0.79 USP30 (0.39) RAB9ANPC1KMT2AALDH1A1P2RX7

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 5 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-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 SIGMAR1 2842/4885RAB9A 3504/4885NPC1 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.