SCHEMBL5221578

SCHEMBL5221578

CSCCCc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.59
CYP1A2 P05177 2/20 0.53
CYP2A6 P11509 1/20 0.52
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
IDO1 P14902 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
BCHE P06276 3/20 0.44
MC4R P32245 1/20 0.42
MC5R P33032 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
SCHEMBL1145596 0.89 CYP1A2 (0.55) SIGMAR1CYP1A2CYP2A6IDO1HRH3
SCHEMBL10866501 0.85 SIGMAR1 (0.58) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30418669 0.82 SIGMAR1 (0.68) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30746339 0.82 SIGMAR1 (0.68) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL5221573 0.81 SIGMAR1 (0.54) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30418043 0.80 SIGMAR1 (0.66) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL597668 0.79 SIGMAR1 (0.65) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL29663820 0.79 SIGMAR1 (0.65) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL6925992 0.78 SIGMAR1 (0.54) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL6240981 0.77 CYP1A2 (0.65) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
US-20040192697-A1 Pyrrolopyridine potassium channel openers ABBOTT LABORATORIES 2004-09-30 US disclosed
WO-2004060893-A1 PYRROLOPYRIDINE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2004-07-22 WO disclosed
US-20040122218-A1 Pyrrolopyridine potassium channel openers ABBOTT LABORATORIES 2004-06-24 US 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
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
WO-2003089404-A1 NAPHTHALENE AMIDES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2003-10-30 WO disclosed
US-20030199578-A1 Naphthalene amides as potassium channel openers ABBOTT LABORATORIES 2003-10-23 US disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 US disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 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 (6 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 2842/4885CYP1A2 1723/4885CYP2A6 1746/4885
US-20040122218-A1 Pyrrolopyridine potassium channel openers KCNJ2, KCNN1, KCNN2 SIGMAR1 3276/4885CYP1A2 1908/4885CYP2A6 3273/4885
US-20030199578-A1 Naphthalene amides as potassium channel openers KCNJ2, KCNN2, KCNJ1 SIGMAR1 2114/4885CYP1A2 965/4885CYP2A6 1105/4885
US-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 SIGMAR1 457/4885CYP1A2 688/4885CYP2A6 505/4885
US-20040192697-A1 Pyrrolopyridine potassium channel openers KCNJ2, KCNN1, KCNN2 SIGMAR1 3276/4885CYP1A2 1908/4885CYP2A6 3273/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 SIGMAR1 457/4885CYP1A2 688/4885CYP2A6 505/4885

“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.