SCHEMBL6904665

SCHEMBL6904665

O=C1CCC2=C1C(c1ccc([N+](=O)[O-])o1)C1=C(CCS1)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.40
ABCC8 Q09428 9/20 0.40
KCNJ11 Q14654 9/20 0.40
KCNJ8 Q15842 9/20 0.40
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.33
KDM4E B2RXH2 3/20 0.33
POLB P06746 2/20 0.33
GPR174 Q9BXC1 1/20 0.32
PIK3CG P48736 1/20 0.31
RECQL P46063 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL7241347 0.84 ALDH1A1 (0.35) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL7629326 0.82 ALDH1A1 (0.34) MAPTNPSR1NPC1ALDH1A1MEN1
SCHEMBL6908842 0.73 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL6431947 0.73 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL8187234 0.71 ALDH1A1 (0.67) MAPTNPSR1NPC1ALDH1A1MEN1
SCHEMBL7236602 0.70 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL6911547 0.70 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL6904144 0.69 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL6436430 0.69 MEN1 (0.48) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL6905775 0.68 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040097-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-04-14 EP claimed
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US claimed
US-20010036950-A1 Potassium channel openers CARROLL WILLIAM A (US) 2001-11-01 US claimed
EP-1040097-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2000-10-04 EP claimed
WO-1999031059-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 1999-06-24 WO claimed
EP-1040097-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-04-14 EP disclosed
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP disclosed
US-20010036950-A1 Potassium channel openers CARROLL WILLIAM A (US) 2001-11-01 US disclosed
US-6265417-B1 MUSCLE RELAXANTS ABBOTT LABORATORIES 2001-07-24 US disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO 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-20010036950-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 ABCC9 300/4885ABCC8 376/4885KCNJ11 2/4885

“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.