SCHEMBL6910686

SCHEMBL6910686

O=C1CCCC2=C1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C1=C(CCS1)N2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 14/20 0.55
ABCC8 Q09428 14/20 0.55
KCNJ11 Q14654 14/20 0.55
KCNJ8 Q15842 14/20 0.55
MAPT P10636 1/20 0.41
GPR174 Q9BXC1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 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
SCHEMBL6904218 1.00 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL6432510 1.00 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL6908334 0.96 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL6431947 0.94 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL6910248 0.92 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL7820651 0.88 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL5073143 0.88 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6465855 0.88 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6431863 0.88 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL7232996 0.87 MAPT (0.42) ABCC9ABCC8KCNJ11KCNJ8MAPT

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-1040097-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-04-14 EP claimed
EP-1040097-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-04-14 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
EP-1040097-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2000-10-04 EP disclosed
WO-1999031059-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 1999-06-24 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.