SCHEMBL4284704

SCHEMBL4284704

CC(=O)CCn1cnc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.74
TDP1 Q9NUW8 1/20 0.66
SMN1; SMN2 Q16637 4/20 0.59
HTT P42858 4/20 0.59
APAF1 O14727 1/20 0.56
LMNA P02545 3/20 0.55
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 2/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
RAB9A P51151 1/20 0.52
FDPS P14324 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TNF P01375 1/20 0.50

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
SCHEMBL838860 0.85 EGLN3 (1.00) EGLN3TDP1SMN1; SMN2HTTAPAF1
SCHEMBL30389756 0.85 EGLN3 (1.00) EGLN3TDP1SMN1; SMN2HTTAPAF1
SCHEMBL6852835 0.84 EGLN3 (0.74) EGLN3TDP1SMN1; SMN2HTTAPAF1
SCHEMBL10881570 0.83 KDM4E (0.65) EGLN3TDP1SMN1; SMN2HTTAPAF1
SCHEMBL3044408 0.83 EGLN3 (0.68) EGLN3TDP1SMN1; SMN2HTTAPAF1
SCHEMBL28299392 0.81 EGLN3 (0.70) EGLN3TDP1SMN1; SMN2HTTAPAF1
SCHEMBL4064250 0.81 EGLN3 (0.65) EGLN3TDP1SMN1; SMN2HTTAPAF1
SCHEMBL13588038 0.81 EGLN3 (0.65) EGLN3TDP1SMN1; SMN2HTTAPAF1
SCHEMBL6442808 0.80 TDP1 (1.00) EGLN3TDP1SMN1; SMN2HTTLMNA
SCHEMBL17309670 0.80 KDM4E (0.74) EGLN3TDP1SMN1; SMN2HTTAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0089894-B1 N-(2-(4-HYDROXY-3-METHOXY-PHENYL)-2-HYDROXY-ETHYL)-3-AMINO-1(1-BENZIMIDAZOLYL) BUTANE AND SALTS AND HYDRATES WITH BETA-ADRENERGIC ACTIVITY, THERAPEUTICAL APPLICATIONS AND PROCESS FOR THEIR PREPARATION Société anonyme dite: LABORATOIRE ROGER BELLON (FR) 1986-06-11 EP claimed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
WO-2008050207-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LIMITED (GB) 2008-05-02 WO disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 US disclosed
US-4434174-A Treating cardiovascular diseases with N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1984-02-28 US disclosed
US-4363808-A N-(3-Phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1982-12-14 US disclosed
EP-0034116-A2 N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1981-08-19 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 (3 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-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C EGLN3 1787/4885TDP1 2966/4885SMN1; SMN2 1803/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C EGLN3 2315/4885TDP1 4088/4885SMN1; SMN2 2020/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 EGLN3 348/4885TDP1 768/4885SMN1; SMN2 122/4885

“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.