SCHEMBL5215736

SCHEMBL5215736

[CH2]SCCCCCc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.59
NAAA Q02083 1/20 0.49
LOXL2 Q9Y4K0 2/20 0.45
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP2C9 P11712 4/20 0.44
CYP2C19 P33261 4/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HSD17B10 Q99714 1/20 0.41
PLA2G7 Q13093 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
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
SCHEMBL2841394 0.84 HRH1 (0.77) HRH1NAAALOXL2CYP1A2CYP3A4
SCHEMBL725306 0.84 HRH1 (0.77) HRH1NAAALOXL2CYP1A2CYP3A4
SCHEMBL4413800 0.84 HRH1 (0.77) HRH1NAAALOXL2CYP1A2CYP3A4
SCHEMBL272503 0.82 HRH1 (0.53) HRH1NAAALOXL2CYP1A2CYP3A4
SCHEMBL726645 0.82 HRH1 (0.73) HRH1NAAALOXL2CYP1A2CYP3A4
SCHEMBL5215740 0.82 HRH1 (0.57) HRH1NAAALOXL2CYP1A2CYP3A4
SCHEMBL863724 0.78 HRH1 (0.63) HRH1NAAALOXL2CYP1A2CYP3A4
SCHEMBL8567865 0.78 HRH1 (0.63) HRH1NAAALOXL2CYP1A2CYP3A4
SCHEMBL8573859 0.78 HRH1 (0.63) HRH1NAAALOXL2CYP1A2CYP3A4
SCHEMBL16289702 0.78 HRH1 (0.63) HRH1NAAALOXL2CYP1A2CYP3A4

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 15 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
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
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 HRH1 2036/4885NAAA 1950/4885LOXL2 3193/4885
US-20040122218-A1 Pyrrolopyridine potassium channel openers KCNJ2, KCNN1, KCNN2 HRH1 2032/4885NAAA 3472/4885LOXL2 3951/4885
US-20030199578-A1 Naphthalene amides as potassium channel openers KCNJ2, KCNN2, KCNJ1 HRH1 1520/4885NAAA 161/4885LOXL2 4615/4885
US-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 HRH1 1014/4885NAAA 855/4885LOXL2 3223/4885
US-20040192697-A1 Pyrrolopyridine potassium channel openers KCNJ2, KCNN1, KCNN2 HRH1 2032/4885NAAA 3472/4885LOXL2 3951/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 HRH1 1014/4885NAAA 855/4885LOXL2 3223/4885

“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.