SCHEMBL708029

SCHEMBL708029

NCCNC(=O)C1COc2ccccc2O1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.77
HPGD P15428 7/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
GAA P10253 2/20 0.70
TSHR P16473 2/20 0.70
HTT P42858 1/20 0.67
CYP2C19 P33261 3/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPK1 P28482 2/20 0.61
NPC1 O15118 2/20 0.61
CYP3A4 P08684 2/20 0.61
LMNA P02545 1/20 0.61
CYP2D6 P10635 1/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL11013240 0.82 HPGD (0.75) POLBHPGDMEN1KMT2AGAA
SCHEMBL19550524 0.80 POLB (0.73) POLBHPGDMEN1KMT2AHTT
SCHEMBL19550956 0.80 POLB (0.73) POLBHPGDMEN1KMT2AHTT
SCHEMBL19550522 0.80 POLB (0.73) POLBHPGDMEN1KMT2AHTT
SCHEMBL7339035 0.80 HPGD (0.71) POLBHPGDMEN1KMT2AGAA
SCHEMBL4651767 0.79 RAB9A (0.71) POLBHPGDMEN1KMT2AGAA
SCHEMBL8846668 0.78 GAA (0.70) POLBHPGDMEN1KMT2AGAA
SCHEMBL14067517 0.78 POLB (0.69) POLBHPGDMEN1KMT2AGAA
SCHEMBL13923633 0.77 RAB9A (0.65) POLBHPGDMEN1KMT2AHTT
SCHEMBL2977327 0.76 NISCH (0.71) POLBHPGDMEN1KMT2AHTT

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
US-8476307-B2 pharmaceutical composition comprising idazoxan or derivatives and their therapeutically acceptable salts, racemates, optically active isomers and polymorphs. PIERRE FABRE MEDICAMENT (FR) 2013-07-02 US disclosed
US-8124640-B2 non-film-coated tablets comprising a mixture of 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole hydrochloride, microcrystalline cellulose, lubricants, colloidal silica and lactose, having stability PIERRE FABRE MEDICAMENT (FR) 2012-02-28 US disclosed
US-7595335-B2 Containing microcrystalline cellulose, lubricant, colloidal silica and lactose; use in treating depression, Parkinson's disease and severe psychotic disorders, such as schizophrenia and schizoaffective disorders. PIERRE FABRE MEDICAMENT (FR) 2009-09-29 US disclosed
US-20080262067-A1 PHARMACEUTICAL COMPOSITION BASED ON IDAZOXAN, SALTS, HYDRATES OR POLYMORPHS THEREOF PIERRE FABRE MEDICAMENT 2008-10-23 US disclosed
US-20080113022-A1 PHARMACEUTICAL COMPOSITION BASED ON IDAZOXAN, SALTS, HYDRATES OR POLYMORPHS THEREOF BOUGARET JOEL 2008-05-15 US disclosed
US-7338970-B2 Pharmaceutical composition based on a polymorphic form I of idazoxan PIERRE FABRE MEDICAMENT (FR) 2008-03-04 US disclosed
US-20050176798-A1 Pharmaceutical composition based on idazoxan, salts, hydrates or polymorphs thereof PIERRE FABRE MEDICAMENT (FR) 2005-08-11 US disclosed
US-20050090537-A1 Pharmaceutical composition based on idazoxan, salts, hydrates or polymorphs thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-28 US disclosed
US-4818764-A SELECTIVE PRESYNAPTIC ADRENERGIC BLOCKING AGENT OF 2-/2-/1,4-BENZODIOXANYL//-2-IMIDAZOLINE RECKITT & COLMAN PRODUCTS LIMITED (GB) 1989-04-04 US disclosed
EP-0033655-B1 IMIDAZOLINE DERIVATIVE, ITS SALTS, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF RECKITT AND COLMAN PRODUCTS LIMITED (GB) 1984-04-25 EP disclosed
EP-0033655-A2 Imidazoline derivative, its salts, process for preparation and pharmaceutical compositions thereof RECKITT AND COLMAN PRODUCTS LIMITED (GB) 1981-08-12 EP 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 (4 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-20050176798-A1 Pharmaceutical composition based on idazoxan, salts, hydrates or polymorphs thereof CYP3A43, ABCG2, CYP2C9 POLB 2453/4885HPGD 973/4885MEN1 2587/4885
US-20080113022-A1 PHARMACEUTICAL COMPOSITION BASED ON IDAZOXAN, SALTS, HYDRATES OR POLYMORPHS THEREOF LPXN, ALB, SI POLB 3491/4885HPGD 3332/4885MEN1 2615/4885
US-20080262067-A1 PHARMACEUTICAL COMPOSITION BASED ON IDAZOXAN, SALTS, HYDRATES OR POLYMORPHS THEREOF CYP3A43, ABCG2, CYP2C9 POLB 2453/4885HPGD 973/4885MEN1 2587/4885
US-20050090537-A1 Pharmaceutical composition based on idazoxan, salts, hydrates or polymorphs thereof LPXN, ALB, SI POLB 3491/4885HPGD 3332/4885MEN1 2615/4885

“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.